4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-hydroxycyclohexyl)-3-methylbenzenesulfonamide

C21H26N4O3S — CID 134362071

IUPAC4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-hydroxycyclohexyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCCC(O)C2)ccc1-c1ccc2[nH]nc(N)c2c1C
InChIInChI=1S/C21H26N4O3S/c1-12-10-16(29(27,28)25-14-4-3-5-15(26)11-14)6-7-17(12)18-8-9-19-20(13(18)2)21(22)24-23-19/h6-10,14-15,25-26H,3-5,11H2,1-2H3,(H3,22,23,24)
InChIKeyKPEFGOLMELBZLH-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.01
Rot. Bonds4

About 4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-hydroxycyclohexyl)-3-methylbenzenesulfonamide

4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-hydroxycyclohexyl)-3-methylbenzenesulfonamide (PubChem CID 134362071) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is 4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-hydroxycyclohexyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-hydroxycyclohexyl)-3-methylbenzenesulfonamide
PubChem CID134362071
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC Name4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-hydroxycyclohexyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCCC(O)C2)ccc1-c1ccc2[nH]nc(N)c2c1C
InChIInChI=1S/C21H26N4O3S/c1-12-10-16(29(27,28)25-14-4-3-5-15(26)11-14)6-7-17(12)18-8-9-19-20(13(18)2)21(22)24-23-19/h6-10,14-15,25-26H,3-5,11H2,1-2H3,(H3,22,23,24)
InChIKeyKPEFGOLMELBZLH-UHFFFAOYSA-N
XLogP3.01
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-amino-4-methyl-1H-indazol-5-yl)-N-[(1R,2R)-2-hydroxycyclopentyl]-3-methylbenzenesulfonamide
CID 134362114
4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-ethyl-3-hydroxycyclobutyl)-3-methylbenzenesulfonamide
CID 134362264
4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-hydroxy-1-methylcyclobutyl)-3-methylbenzenesulfonamide
CID 134362198
1-[(2S)-1-[4-(3-amino-4-methyl-1H-indazol-5-yl)-3-methylphenyl]sulfonylpyrrolidin-2-yl]ethanol
CID 134362215
4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3-hydroxycyclopentyl)benzenesulfonamide
CID 134367259
[1-[4-(3-amino-4-methyl-1H-indazol-5-yl)-3-methylphenyl]sulfonyl-4,4-difluoropyrrolidin-2-yl]methanol
CID 134362223
4-acetyl-N-(3-hydroxycyclohexyl)benzenesulfonamide
CID 61068578
3-chloro-4-fluoro-N-[(1R,3R)-3-hydroxycyclohexyl]benzenesulfonamide
CID 95984027
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(3-hydroxycyclopentyl)-4-methylbenzenesulfonamide
CID 118470154
2-methyl-4-[(3-methylcyclohexyl)sulfamoyl]benzenecarbothioamide
CID 106920023
2,4-dichloro-N-[(1S,3R)-3-hydroxycyclohexyl]-5-methylbenzenesulfonamide
CID 95984052
5-chloro-N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzenesulfonamide
CID 95984034

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-hydroxycyclohexyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-hydroxycyclohexyl)-3-methylbenzenesulfonamide (CID 134362071) is 4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-hydroxycyclohexyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-hydroxycyclohexyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-hydroxycyclohexyl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NC2CCCC(O)C2)ccc1-c1ccc2[nH]nc(N)c2c1C.
What is the InChIKey of 4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-hydroxycyclohexyl)-3-methylbenzenesulfonamide?
The InChIKey is KPEFGOLMELBZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-12-10-16(29(27,28)25-14-4-3-5-15(26)11-14)6-7-17(12)18-8-9-19-20(13(18)2)21(22)24-23-19/h6-10,14-15,25-26H,3-5,11H2,1-2H3,(H3,22,23,24).
What are the key properties of 4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-hydroxycyclohexyl)-3-methylbenzenesulfonamide?
4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-hydroxycyclohexyl)-3-methylbenzenesulfonamide has a molecular weight of 414.53 g/mol, XLogP of 3.01, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-hydroxycyclohexyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 134362071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).