3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide;hydrochloride

C21H27ClN6O3S — CID 126512458

IUPAC3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NC2CCC(O)CC2)cc1-c1cnc(N)c(-c2cnn(C)n2)c1.Cl
InChIInChI=1S/C21H26N6O3S.ClH/c1-13-3-8-17(31(29,30)26-15-4-6-16(28)7-5-15)10-18(13)14-9-19(21(22)23-11-14)20-12-24-27(2)25-20;/h3,8-12,15-16,26,28H,4-7H2,1-2H3,(H2,22,23);1H
InChIKeyYSNJPJKBQACVMH-UHFFFAOYSA-N
MW479.01 g/mol
LogP2.44
Rot. Bonds5

About 3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide;hydrochloride

3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide;hydrochloride (PubChem CID 126512458) has the molecular formula C21H27ClN6O3S and a molecular weight of 479.01 g/mol. Its IUPAC name is 3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide;hydrochloride
PubChem CID126512458
Molecular FormulaC21H27ClN6O3S
Molecular Weight479.01 g/mol
Exact Mass478.16
IUPAC Name3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NC2CCC(O)CC2)cc1-c1cnc(N)c(-c2cnn(C)n2)c1.Cl
InChIInChI=1S/C21H26N6O3S.ClH/c1-13-3-8-17(31(29,30)26-15-4-6-16(28)7-5-15)10-18(13)14-9-19(21(22)23-11-14)20-12-24-27(2)25-20;/h3,8-12,15-16,26,28H,4-7H2,1-2H3,(H2,22,23);1H
InChIKeyYSNJPJKBQACVMH-UHFFFAOYSA-N
XLogP2.44
TPSA136.02 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.01
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide;hydrochloride with MolForge

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Related Compounds

3-[6-amino-5-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide
CID 118470222
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(3-hydroxycyclopentyl)-4-methylbenzenesulfonamide
CID 118470154
3-[5-amino-6-(cyclopropanecarbonyl)pyrazin-2-yl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide
CID 164616979
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
CID 118470402
N-(4-hydroxycyclohexyl)-4-methyl-3-(6-pyridin-3-ylpyrazin-2-yl)benzenesulfonamide
CID 118470908
3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-N-cyclobutyl-4-methylbenzenesulfonamide
CID 126570016
3-[6-amino-5-(5-methyl-1H-pyrrol-2-yl)-3-pyridinyl]-N-[(3-hydroxycyclobutyl)methyl]-4-methylbenzenesulfonamide
CID 141469182
3-[5-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-N-(4,4-difluorocyclohexyl)-4-methylbenzenesulfonamide
CID 118470462
3-[6-amino-5-[2-imino-1-(2-methylhydrazinyl)ethyl]-3-pyridinyl]-N-cyclohexyl-4-methylbenzenesulfonamide
CID 118478590
6-[2-amino-5-[4-(cyclopropylsulfamoyl)phenyl]-3-pyridinyl]pyridine-3-carboxamide
CID 70654610
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N,4-dimethylbenzenesulfonamide
CID 139499925
3-amino-4-ethyl-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 43257259

Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of 3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide;hydrochloride (CID 126512458) is 3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)NC2CCC(O)CC2)cc1-c1cnc(N)c(-c2cnn(C)n2)c1.Cl.
What is the InChIKey of 3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide;hydrochloride?
The InChIKey is YSNJPJKBQACVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3S.ClH/c1-13-3-8-17(31(29,30)26-15-4-6-16(28)7-5-15)10-18(13)14-9-19(21(22)23-11-14)20-12-24-27(2)25-20;/h3,8-12,15-16,26,28H,4-7H2,1-2H3,(H2,22,23);1H.
What are the key properties of 3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide;hydrochloride?
3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide;hydrochloride has a molecular weight of 479.01 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 126512458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).