4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-piperidin-4-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-pyridin-3-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide

C89H129N25O10S5 — CID 163579095

IUPAC4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-piperidin-4-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-pyridin-3-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide
SMILESC=C(C)N1CCC(n2nnc(-c3cc(S(=O)(=O)NC)ccc3CC3CCCCC3)n2)CC1.CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(C3CCN(S(C)(=O)=O)CC3)n2)c1.CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(C3CCN(c4cccnc4)CC3)n2)c1.CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(C3CCNCC3)n2)c1
InChIInChI=1S/C25H33N7O2S.C23H34N6O2S.C21H32N6O4S2.C20H30N6O2S/c1-26-35(33,34)23-10-9-20(16-19-6-3-2-4-7-19)24(17-23)25-28-30-32(29-25)21-11-14-31(15-12-21)22-8-5-13-27-18-22;1-17(2)28-13-11-20(12-14-28)29-26-23(25-27-29)22-16-21(32(30,31)24-3)10-9-19(22)15-18-7-5-4-6-8-18;1-22-33(30,31)19-9-8-17(14-16-6-4-3-5-7-16)20(15-19)21-23-25-27(24-21)18-10-12-26(13-11-18)32(2,28)29;1-21-29(27,28)18-8-7-16(13-15-5-3-2-4-6-15)19(14-18)20-23-25-26(24-20)17-9-11-22-12-10-17/h5,8-10,13,17-19,21,26H,2-4,6-7,11-12,14-16H2,1H3;9-10,16,18,20,24H,1,4-8,11-15H2,2-3H3;8-9,15-16,18,22H,3-7,10-14H2,1-2H3;7-8,14-15,17,21-22H,2-6,9-13H2,1H3
InChIKeyGGAHGDSDRFUFPB-UHFFFAOYSA-N
MW1869.51 g/mol
LogP11.41
Rot. Bonds27

About 4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-piperidin-4-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-pyridin-3-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide

4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-piperidin-4-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-pyridin-3-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide (PubChem CID 163579095) has the molecular formula C89H129N25O10S5 and a molecular weight of 1869.51 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-piperidin-4-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-pyridin-3-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-piperidin-4-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-pyridin-3-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide
PubChem CID163579095
Molecular FormulaC89H129N25O10S5
Molecular Weight1869.51 g/mol
Exact Mass1867.90
IUPAC Name4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-piperidin-4-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-pyridin-3-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide
SMILESC=C(C)N1CCC(n2nnc(-c3cc(S(=O)(=O)NC)ccc3CC3CCCCC3)n2)CC1.CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(C3CCN(S(C)(=O)=O)CC3)n2)c1.CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(C3CCN(c4cccnc4)CC3)n2)c1.CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(C3CCNCC3)n2)c1
InChIInChI=1S/C25H33N7O2S.C23H34N6O2S.C21H32N6O4S2.C20H30N6O2S/c1-26-35(33,34)23-10-9-20(16-19-6-3-2-4-7-19)24(17-23)25-28-30-32(29-25)21-11-14-31(15-12-21)22-8-5-13-27-18-22;1-17(2)28-13-11-20(12-14-28)29-26-23(25-27-29)22-16-21(32(30,31)24-3)10-9-19(22)15-18-7-5-4-6-8-18;1-22-33(30,31)19-9-8-17(14-16-6-4-3-5-7-16)20(15-19)21-23-25-27(24-21)18-10-12-26(13-11-18)32(2,28)29;1-21-29(27,28)18-8-7-16(13-15-5-3-2-4-6-15)19(14-18)20-23-25-26(24-20)17-9-11-22-12-10-17/h5,8-10,13,17-19,21,26H,2-4,6-7,11-12,14-16H2,1H3;9-10,16,18,20,24H,1,4-8,11-15H2,2-3H3;8-9,15-16,18,22H,3-7,10-14H2,1-2H3;7-8,14-15,17,21-22H,2-6,9-13H2,1H3
InChIKeyGGAHGDSDRFUFPB-UHFFFAOYSA-N
XLogP11.41
TPSA427.86 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds27
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001869.51
LogP ≤ 511.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Analyze 4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-piperidin-4-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-pyridin-3-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-piperidin-4-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-pyridin-3-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-piperidin-4-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-pyridin-3-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide (CID 163579095) is 4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-piperidin-4-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-pyridin-3-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-piperidin-4-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-pyridin-3-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-piperidin-4-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-pyridin-3-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide is C=C(C)N1CCC(n2nnc(-c3cc(S(=O)(=O)NC)ccc3CC3CCCCC3)n2)CC1.CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(C3CCN(S(C)(=O)=O)CC3)n2)c1.CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(C3CCN(c4cccnc4)CC3)n2)c1.CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(C3CCNCC3)n2)c1.
What is the InChIKey of 4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-piperidin-4-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-pyridin-3-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide?
The InChIKey is GGAHGDSDRFUFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O2S.C23H34N6O2S.C21H32N6O4S2.C20H30N6O2S/c1-26-35(33,34)23-10-9-20(16-19-6-3-2-4-7-19)24(17-23)25-28-30-32(29-25)21-11-14-31(15-12-21)22-8-5-13-27-18-22;1-17(2)28-13-11-20(12-14-28)29-26-23(25-27-29)22-16-21(32(30,31)24-3)10-9-19(22)15-18-7-5-4-6-8-18;1-22-33(30,31)19-9-8-17(14-16-6-4-3-5-7-16)20(15-19)21-23-25-27(24-21)18-10-12-26(13-11-18)32(2,28)29;1-21-29(27,28)18-8-7-16(13-15-5-3-2-4-6-15)19(14-18)20-23-25-26(24-20)17-9-11-22-12-10-17/h5,8-10,13,17-19,21,26H,2-4,6-7,11-12,14-16H2,1H3;9-10,16,18,20,24H,1,4-8,11-15H2,2-3H3;8-9,15-16,18,22H,3-7,10-14H2,1-2H3;7-8,14-15,17,21-22H,2-6,9-13H2,1H3.
What are the key properties of 4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-piperidin-4-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-pyridin-3-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide?
4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-piperidin-4-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-pyridin-3-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide has a molecular weight of 1869.51 g/mol, XLogP of 11.41, 27 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-piperidin-4-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-pyridin-3-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 163579095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).