3-[5-amino-6-(cyclopropanecarbonyl)pyrazin-2-yl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide

C21H26N4O4S — CID 164616979

IUPAC3-[5-amino-6-(cyclopropanecarbonyl)pyrazin-2-yl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCC(O)CC2)cc1-c1cnc(N)c(C(=O)C2CC2)n1
InChIInChI=1S/C21H26N4O4S/c1-12-2-9-16(30(28,29)25-14-5-7-15(26)8-6-14)10-17(12)18-11-23-21(22)19(24-18)20(27)13-3-4-13/h2,9-11,13-15,25-26H,3-8H2,1H3,(H2,22,23)
InChIKeyPXUUDOHYGXJCDO-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.21
Rot. Bonds6

About 3-[5-amino-6-(cyclopropanecarbonyl)pyrazin-2-yl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide

3-[5-amino-6-(cyclopropanecarbonyl)pyrazin-2-yl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide (PubChem CID 164616979) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is 3-[5-amino-6-(cyclopropanecarbonyl)pyrazin-2-yl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[5-amino-6-(cyclopropanecarbonyl)pyrazin-2-yl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide
PubChem CID164616979
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC Name3-[5-amino-6-(cyclopropanecarbonyl)pyrazin-2-yl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCC(O)CC2)cc1-c1cnc(N)c(C(=O)C2CC2)n1
InChIInChI=1S/C21H26N4O4S/c1-12-2-9-16(30(28,29)25-14-5-7-15(26)8-6-14)10-17(12)18-11-23-21(22)19(24-18)20(27)13-3-4-13/h2,9-11,13-15,25-26H,3-8H2,1H3,(H2,22,23)
InChIKeyPXUUDOHYGXJCDO-UHFFFAOYSA-N
XLogP2.21
TPSA135.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-hydroxycyclohexyl)-4-methyl-3-(6-pyridin-3-ylpyrazin-2-yl)benzenesulfonamide
CID 118470908
3-[6-amino-5-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide
CID 118470222
3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide;hydrochloride
CID 126512458
3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-N-cyclobutyl-4-methylbenzenesulfonamide
CID 126570016
3-(6-chloropyrazin-2-yl)-N-cyclohexyl-4-methylbenzenesulfonamide
CID 144949953
3-[5-amino-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 162074354
3-[5-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-N-(4,4-difluorocyclohexyl)-4-methylbenzenesulfonamide
CID 118470462
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(3-hydroxycyclopentyl)-4-methylbenzenesulfonamide
CID 118470154
4-[(3,4-dimethylphenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 123780461
3-amino-4-ethyl-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 43257259
5-(cyclopropylsulfamoyl)-2-methyl-N-(5-methyl-2-pyridinyl)benzamide
CID 46679817
3-amino-N-cyclohexyl-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 52937662

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-6-(cyclopropanecarbonyl)pyrazin-2-yl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-[5-amino-6-(cyclopropanecarbonyl)pyrazin-2-yl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide (CID 164616979) is 3-[5-amino-6-(cyclopropanecarbonyl)pyrazin-2-yl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-[5-amino-6-(cyclopropanecarbonyl)pyrazin-2-yl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-[5-amino-6-(cyclopropanecarbonyl)pyrazin-2-yl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCC(O)CC2)cc1-c1cnc(N)c(C(=O)C2CC2)n1.
What is the InChIKey of 3-[5-amino-6-(cyclopropanecarbonyl)pyrazin-2-yl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide?
The InChIKey is PXUUDOHYGXJCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-12-2-9-16(30(28,29)25-14-5-7-15(26)8-6-14)10-17(12)18-11-23-21(22)19(24-18)20(27)13-3-4-13/h2,9-11,13-15,25-26H,3-8H2,1H3,(H2,22,23).
What are the key properties of 3-[5-amino-6-(cyclopropanecarbonyl)pyrazin-2-yl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide?
3-[5-amino-6-(cyclopropanecarbonyl)pyrazin-2-yl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide has a molecular weight of 430.53 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-6-(cyclopropanecarbonyl)pyrazin-2-yl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 164616979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).