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

C20H24N4O3S — CID 134362198

IUPAC4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-hydroxy-1-methylcyclobutyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2(C)CC(O)C2)ccc1-c1ccc2[nH]nc(N)c2c1C
InChIInChI=1S/C20H24N4O3S/c1-11-8-14(28(26,27)24-20(3)9-13(25)10-20)4-5-15(11)16-6-7-17-18(12(16)2)19(21)23-22-17/h4-8,13,24-25H,9-10H2,1-3H3,(H3,21,22,23)
InChIKeyRSAKMGVFKHBJEO-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.62
Rot. Bonds4

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

4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-hydroxy-1-methylcyclobutyl)-3-methylbenzenesulfonamide (PubChem CID 134362198) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-hydroxy-1-methylcyclobutyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-hydroxy-1-methylcyclobutyl)-3-methylbenzenesulfonamide
PubChem CID134362198
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-hydroxy-1-methylcyclobutyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2(C)CC(O)C2)ccc1-c1ccc2[nH]nc(N)c2c1C
InChIInChI=1S/C20H24N4O3S/c1-11-8-14(28(26,27)24-20(3)9-13(25)10-20)4-5-15(11)16-6-7-17-18(12(16)2)19(21)23-22-17/h4-8,13,24-25H,9-10H2,1-3H3,(H3,21,22,23)
InChIKeyRSAKMGVFKHBJEO-UHFFFAOYSA-N
XLogP2.62
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-hydroxy-1-methylcyclobutyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-hydroxy-1-methylcyclobutyl)-3-methylbenzenesulfonamide (CID 134362198) is 4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-hydroxy-1-methylcyclobutyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-hydroxy-1-methylcyclobutyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-hydroxy-1-methylcyclobutyl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NC2(C)CC(O)C2)ccc1-c1ccc2[nH]nc(N)c2c1C.
What is the InChIKey of 4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-hydroxy-1-methylcyclobutyl)-3-methylbenzenesulfonamide?
The InChIKey is RSAKMGVFKHBJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-11-8-14(28(26,27)24-20(3)9-13(25)10-20)4-5-15(11)16-6-7-17-18(12(16)2)19(21)23-22-17/h4-8,13,24-25H,9-10H2,1-3H3,(H3,21,22,23).
What are the key properties of 4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-hydroxy-1-methylcyclobutyl)-3-methylbenzenesulfonamide?
4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-hydroxy-1-methylcyclobutyl)-3-methylbenzenesulfonamide has a molecular weight of 400.50 g/mol, XLogP of 2.62, 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-hydroxy-1-methylcyclobutyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 134362198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).