3-[4-(methanesulfonamido)cyclohexyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide

C22H28N6O5S2 — CID 118257043

IUPAC3-[4-(methanesulfonamido)cyclohexyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
SMILESCOc1ccc(Cn2nnc(-c3c(C4CCC(NS(C)(=O)=O)CC4)cccc3S(N)(=O)=O)n2)cc1
InChIInChI=1S/C22H28N6O5S2/c1-33-18-12-6-15(7-13-18)14-28-25-22(24-27-28)21-19(4-3-5-20(21)35(23,31)32)16-8-10-17(11-9-16)26-34(2,29)30/h3-7,12-13,16-17,26H,8-11,14H2,1-2H3,(H2,23,31,32)
InChIKeyMBTNMEPLXOEYFN-UHFFFAOYSA-N
MW520.64 g/mol
LogP1.62
Rot. Bonds8

About 3-[4-(methanesulfonamido)cyclohexyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide

3-[4-(methanesulfonamido)cyclohexyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide (PubChem CID 118257043) has the molecular formula C22H28N6O5S2 and a molecular weight of 520.64 g/mol. Its IUPAC name is 3-[4-(methanesulfonamido)cyclohexyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[4-(methanesulfonamido)cyclohexyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
PubChem CID118257043
Molecular FormulaC22H28N6O5S2
Molecular Weight520.64 g/mol
Exact Mass520.16
IUPAC Name3-[4-(methanesulfonamido)cyclohexyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
SMILESCOc1ccc(Cn2nnc(-c3c(C4CCC(NS(C)(=O)=O)CC4)cccc3S(N)(=O)=O)n2)cc1
InChIInChI=1S/C22H28N6O5S2/c1-33-18-12-6-15(7-13-18)14-28-25-22(24-27-28)21-19(4-3-5-20(21)35(23,31)32)16-8-10-17(11-9-16)26-34(2,29)30/h3-7,12-13,16-17,26H,8-11,14H2,1-2H3,(H2,23,31,32)
InChIKeyMBTNMEPLXOEYFN-UHFFFAOYSA-N
XLogP1.62
TPSA159.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.64
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[4-(methanesulfonamido)cyclohexyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide with MolForge

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Related Compounds

3-(4-aminocyclohexyl)-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 118257342
3-[1-(aminomethyl)isoquinolin-6-yl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 118257472
N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 145220091
6-bromo-3-(4-hydroxycyclohexen-1-yl)-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 122687749
[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]boronic acid
CID 140751938
4-(2-amino-1H-benzimidazol-4-yl)-2-N,2-N-bis[(4-methoxyphenyl)methyl]-3-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzene-1,2-disulfonamide
CID 135310975
3-(2-amino-1H-benzimidazol-4-yl)-6-bromo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 118257196
6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 159854347
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(azetidin-3-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 135150239
tert-butyl 3-[[4-(2-amino-1,3-benzothiazol-4-yl)-2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-3-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]pyrrolidine-1-carboxylate
CID 138611068
[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]sulfamoyl]anilino]methyl piperidine-1-carboxylate
CID 175918724
N-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 154467582

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methanesulfonamido)cyclohexyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide?
The IUPAC name of 3-[4-(methanesulfonamido)cyclohexyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide (CID 118257043) is 3-[4-(methanesulfonamido)cyclohexyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 3-[4-(methanesulfonamido)cyclohexyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 3-[4-(methanesulfonamido)cyclohexyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide is COc1ccc(Cn2nnc(-c3c(C4CCC(NS(C)(=O)=O)CC4)cccc3S(N)(=O)=O)n2)cc1.
What is the InChIKey of 3-[4-(methanesulfonamido)cyclohexyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide?
The InChIKey is MBTNMEPLXOEYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O5S2/c1-33-18-12-6-15(7-13-18)14-28-25-22(24-27-28)21-19(4-3-5-20(21)35(23,31)32)16-8-10-17(11-9-16)26-34(2,29)30/h3-7,12-13,16-17,26H,8-11,14H2,1-2H3,(H2,23,31,32).
What are the key properties of 3-[4-(methanesulfonamido)cyclohexyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide?
3-[4-(methanesulfonamido)cyclohexyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide has a molecular weight of 520.64 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methanesulfonamido)cyclohexyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 118257043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).