2-ethyl-4-(6-methyl-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide

C22H27N5O2S — CID 77301857

IUPAC2-ethyl-4-(6-methyl-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
SMILESCCc1cc(-c2ccc(C)nc2)ccc1S(=O)(=O)NC1CCCC(n2cnnc2)C1
InChIInChI=1S/C22H27N5O2S/c1-3-17-11-18(19-8-7-16(2)23-13-19)9-10-22(17)30(28,29)26-20-5-4-6-21(12-20)27-14-24-25-15-27/h7-11,13-15,20-21,26H,3-6,12H2,1-2H3
InChIKeyDNCPKAQZTNVWGD-UHFFFAOYSA-N
MW425.56 g/mol
LogP3.67
Rot. Bonds6

About 2-ethyl-4-(6-methyl-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide

2-ethyl-4-(6-methyl-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide (PubChem CID 77301857) has the molecular formula C22H27N5O2S and a molecular weight of 425.56 g/mol. Its IUPAC name is 2-ethyl-4-(6-methyl-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name2-ethyl-4-(6-methyl-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
PubChem CID77301857
Molecular FormulaC22H27N5O2S
Molecular Weight425.56 g/mol
Exact Mass425.19
IUPAC Name2-ethyl-4-(6-methyl-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
SMILESCCc1cc(-c2ccc(C)nc2)ccc1S(=O)(=O)NC1CCCC(n2cnnc2)C1
InChIInChI=1S/C22H27N5O2S/c1-3-17-11-18(19-8-7-16(2)23-13-19)9-10-22(17)30(28,29)26-20-5-4-6-21(12-20)27-14-24-25-15-27/h7-11,13-15,20-21,26H,3-6,12H2,1-2H3
InChIKeyDNCPKAQZTNVWGD-UHFFFAOYSA-N
XLogP3.67
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-4-(6-propan-2-yloxy-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 77164618
2-ethyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzenesulfonamide
CID 66895635
2-ethyl-4-(4-methylpyrazol-1-yl)-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 67491155
2-ethyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]-4-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 67491184
2-ethyl-4-(tetrazol-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 75310848
2-ethyl-4-(9-methyl-7,8-dihydro-6H-quinolizin-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 123490305
4-(6-chloroimidazo[1,2-a]pyridin-8-yl)-2-ethyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 67491038
2-ethyl-N-[3-(5-methylimidazol-1-yl)cyclohexyl]-4-(6-propan-2-yloxy-3-pyridinyl)benzenesulfonamide
CID 123900257
2-ethyl-4-(2-pyrrol-1-ylpyrrol-1-yl)-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 118643800
3-ethyl-4-phenyl-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 75310882
4-ethyl-3-phenyl-N-[(1S,3S)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 118643822
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1S,3R)-3-(3-cyclopropyl-1,2,4-triazol-4-yl)cyclohexyl]-2-ethylbenzenesulfonamide
CID 67491980

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(6-methyl-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 2-ethyl-4-(6-methyl-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide (CID 77301857) is 2-ethyl-4-(6-methyl-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 2-ethyl-4-(6-methyl-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 2-ethyl-4-(6-methyl-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide is CCc1cc(-c2ccc(C)nc2)ccc1S(=O)(=O)NC1CCCC(n2cnnc2)C1.
What is the InChIKey of 2-ethyl-4-(6-methyl-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
The InChIKey is DNCPKAQZTNVWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2S/c1-3-17-11-18(19-8-7-16(2)23-13-19)9-10-22(17)30(28,29)26-20-5-4-6-21(12-20)27-14-24-25-15-27/h7-11,13-15,20-21,26H,3-6,12H2,1-2H3.
What are the key properties of 2-ethyl-4-(6-methyl-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
2-ethyl-4-(6-methyl-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide has a molecular weight of 425.56 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(6-methyl-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 77301857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).