N-(4-hydroxycyclohexyl)-4-methyl-3-(6-pyridin-3-ylpyrazin-2-yl)benzenesulfonamide

C22H24N4O3S — CID 118470908

IUPACN-(4-hydroxycyclohexyl)-4-methyl-3-(6-pyridin-3-ylpyrazin-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCC(O)CC2)cc1-c1cncc(-c2cccnc2)n1
InChIInChI=1S/C22H24N4O3S/c1-15-4-9-19(30(28,29)26-17-5-7-18(27)8-6-17)11-20(15)22-14-24-13-21(25-22)16-3-2-10-23-12-16/h2-4,9-14,17-18,26-27H,5-8H2,1H3
InChIKeyUOHNJRXFMONSKM-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.10
Rot. Bonds5

About N-(4-hydroxycyclohexyl)-4-methyl-3-(6-pyridin-3-ylpyrazin-2-yl)benzenesulfonamide

N-(4-hydroxycyclohexyl)-4-methyl-3-(6-pyridin-3-ylpyrazin-2-yl)benzenesulfonamide (PubChem CID 118470908) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-4-methyl-3-(6-pyridin-3-ylpyrazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-4-methyl-3-(6-pyridin-3-ylpyrazin-2-yl)benzenesulfonamide
PubChem CID118470908
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-(4-hydroxycyclohexyl)-4-methyl-3-(6-pyridin-3-ylpyrazin-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCC(O)CC2)cc1-c1cncc(-c2cccnc2)n1
InChIInChI=1S/C22H24N4O3S/c1-15-4-9-19(30(28,29)26-17-5-7-18(27)8-6-17)11-20(15)22-14-24-13-21(25-22)16-3-2-10-23-12-16/h2-4,9-14,17-18,26-27H,5-8H2,1H3
InChIKeyUOHNJRXFMONSKM-UHFFFAOYSA-N
XLogP3.10
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-chloropyrazin-2-yl)-N-cyclohexyl-4-methylbenzenesulfonamide
CID 144949953
3-[5-amino-6-(cyclopropanecarbonyl)pyrazin-2-yl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide
CID 164616979
5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 86933140
3-[6-amino-5-(2-methyltriazol-4-yl)-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide;hydrochloride
CID 126512458
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-(1,2,4-triazol-1-yl)pyrazin-2-yl]-N-cyclobutyl-4-methylbenzenesulfonamide
CID 126570016
3-(6-amino-3-methyl-2-pyridinyl)-N-cyclopropylbenzenesulfonamide
CID 140766860
N-(4-hydroxycyclohexyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 45278732
3-amino-4-ethyl-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 43257259
pyridin-3-yl 3-(cyclopropylsulfamoyl)benzenesulfonate
CID 75453084
methyl 4-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylate
CID 115617333

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-4-methyl-3-(6-pyridin-3-ylpyrazin-2-yl)benzenesulfonamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-4-methyl-3-(6-pyridin-3-ylpyrazin-2-yl)benzenesulfonamide (CID 118470908) is N-(4-hydroxycyclohexyl)-4-methyl-3-(6-pyridin-3-ylpyrazin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-4-methyl-3-(6-pyridin-3-ylpyrazin-2-yl)benzenesulfonamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-4-methyl-3-(6-pyridin-3-ylpyrazin-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCC(O)CC2)cc1-c1cncc(-c2cccnc2)n1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-4-methyl-3-(6-pyridin-3-ylpyrazin-2-yl)benzenesulfonamide?
The InChIKey is UOHNJRXFMONSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-15-4-9-19(30(28,29)26-17-5-7-18(27)8-6-17)11-20(15)22-14-24-13-21(25-22)16-3-2-10-23-12-16/h2-4,9-14,17-18,26-27H,5-8H2,1H3.
What are the key properties of N-(4-hydroxycyclohexyl)-4-methyl-3-(6-pyridin-3-ylpyrazin-2-yl)benzenesulfonamide?
N-(4-hydroxycyclohexyl)-4-methyl-3-(6-pyridin-3-ylpyrazin-2-yl)benzenesulfonamide has a molecular weight of 424.53 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-4-methyl-3-(6-pyridin-3-ylpyrazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 118470908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).