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

C21H26N4O3S — CID 134362264

IUPAC4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-ethyl-3-hydroxycyclobutyl)-3-methylbenzenesulfonamide
SMILESCCC1(O)CC(NS(=O)(=O)c2ccc(-c3ccc4[nH]nc(N)c4c3C)c(C)c2)C1
InChIInChI=1S/C21H26N4O3S/c1-4-21(26)10-14(11-21)25-29(27,28)15-5-6-16(12(2)9-15)17-7-8-18-19(13(17)3)20(22)24-23-18/h5-9,14,25-26H,4,10-11H2,1-3H3,(H3,22,23,24)
InChIKeyGETILSQXGAWJRM-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.01
Rot. Bonds5

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

4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-ethyl-3-hydroxycyclobutyl)-3-methylbenzenesulfonamide (PubChem CID 134362264) 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-ethyl-3-hydroxycyclobutyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-ethyl-3-hydroxycyclobutyl)-3-methylbenzenesulfonamide
PubChem CID134362264
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC Name4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-ethyl-3-hydroxycyclobutyl)-3-methylbenzenesulfonamide
SMILESCCC1(O)CC(NS(=O)(=O)c2ccc(-c3ccc4[nH]nc(N)c4c3C)c(C)c2)C1
InChIInChI=1S/C21H26N4O3S/c1-4-21(26)10-14(11-21)25-29(27,28)15-5-6-16(12(2)9-15)17-7-8-18-19(13(17)3)20(22)24-23-18/h5-9,14,25-26H,4,10-11H2,1-3H3,(H3,22,23,24)
InChIKeyGETILSQXGAWJRM-UHFFFAOYSA-N
XLogP3.01
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
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-(3-hydroxycyclohexyl)-3-methylbenzenesulfonamide
CID 134362071
4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-hydroxy-1-methylcyclobutyl)-3-methylbenzenesulfonamide
CID 134362198
4-(3-amino-4-methyl-1H-indazol-5-yl)-N-[(1R,2R)-2-hydroxycyclopentyl]-3-methylbenzenesulfonamide
CID 134362114
[1-[4-(3-amino-4-methyl-1H-indazol-5-yl)-3-methylphenyl]sulfonyl-4,4-difluoropyrrolidin-2-yl]methanol
CID 134362223
1-[4-(3-amino-4-methyl-1H-indazol-5-yl)-3-methylphenyl]sulfonyl-4,4-difluoropyrrolidine-2-carboxamide
CID 134362219
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-(3,3-difluorocyclobutyl)benzenesulfonamide
CID 134367091
[1-[4-(3-amino-4-chloro-1H-indazol-5-yl)-3-methylphenyl]sulfonyl-4,4-difluoropyrrolidin-2-yl]methanol
CID 134362385
4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3-hydroxycyclopentyl)benzenesulfonamide
CID 134367259
4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(1,1-dioxothietan-3-yl)benzenesulfonamide
CID 134367193
N-(3,3-difluorocyclobutyl)-4-(6-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide
CID 171389649
4-(6-cyano-5-fluoro-2-pyridinyl)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-3-methylbenzenesulfonamide
CID 134367363

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-ethyl-3-hydroxycyclobutyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-ethyl-3-hydroxycyclobutyl)-3-methylbenzenesulfonamide (CID 134362264) is 4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-ethyl-3-hydroxycyclobutyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-ethyl-3-hydroxycyclobutyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-ethyl-3-hydroxycyclobutyl)-3-methylbenzenesulfonamide is CCC1(O)CC(NS(=O)(=O)c2ccc(-c3ccc4[nH]nc(N)c4c3C)c(C)c2)C1.
What is the InChIKey of 4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-ethyl-3-hydroxycyclobutyl)-3-methylbenzenesulfonamide?
The InChIKey is GETILSQXGAWJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-4-21(26)10-14(11-21)25-29(27,28)15-5-6-16(12(2)9-15)17-7-8-18-19(13(17)3)20(22)24-23-18/h5-9,14,25-26H,4,10-11H2,1-3H3,(H3,22,23,24).
What are the key properties of 4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-ethyl-3-hydroxycyclobutyl)-3-methylbenzenesulfonamide?
4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-ethyl-3-hydroxycyclobutyl)-3-methylbenzenesulfonamide has a molecular weight of 414.53 g/mol, XLogP of 3.01, 5 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-ethyl-3-hydroxycyclobutyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 134362264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).