4-(3-amino-4-methyl-1H-indazol-5-yl)-N-[(1R,2R)-2-hydroxycyclopentyl]-3-methylbenzenesulfonamide

C20H24N4O3S — CID 134362114

IUPAC4-(3-amino-4-methyl-1H-indazol-5-yl)-N-[(1R,2R)-2-hydroxycyclopentyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2O)ccc1-c1ccc2[nH]nc(N)c2c1C
InChIInChI=1S/C20H24N4O3S/c1-11-10-13(28(26,27)24-16-4-3-5-18(16)25)6-7-14(11)15-8-9-17-19(12(15)2)20(21)23-22-17/h6-10,16,18,24-25H,3-5H2,1-2H3,(H3,21,22,23)/t16-,18-/m1/s1
InChIKeyYQJSIXYGAIWNBO-SJLPKXTDSA-N
MW400.50 g/mol
LogP2.62
Rot. Bonds4

About 4-(3-amino-4-methyl-1H-indazol-5-yl)-N-[(1R,2R)-2-hydroxycyclopentyl]-3-methylbenzenesulfonamide

4-(3-amino-4-methyl-1H-indazol-5-yl)-N-[(1R,2R)-2-hydroxycyclopentyl]-3-methylbenzenesulfonamide (PubChem CID 134362114) 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-[(1R,2R)-2-hydroxycyclopentyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-amino-4-methyl-1H-indazol-5-yl)-N-[(1R,2R)-2-hydroxycyclopentyl]-3-methylbenzenesulfonamide
PubChem CID134362114
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name4-(3-amino-4-methyl-1H-indazol-5-yl)-N-[(1R,2R)-2-hydroxycyclopentyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2O)ccc1-c1ccc2[nH]nc(N)c2c1C
InChIInChI=1S/C20H24N4O3S/c1-11-10-13(28(26,27)24-16-4-3-5-18(16)25)6-7-14(11)15-8-9-17-19(12(15)2)20(21)23-22-17/h6-10,16,18,24-25H,3-5H2,1-2H3,(H3,21,22,23)/t16-,18-/m1/s1
InChIKeyYQJSIXYGAIWNBO-SJLPKXTDSA-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-[(1R,2R)-2-hydroxycyclopentyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-(3-amino-4-methyl-1H-indazol-5-yl)-N-[(1R,2R)-2-hydroxycyclopentyl]-3-methylbenzenesulfonamide (CID 134362114) is 4-(3-amino-4-methyl-1H-indazol-5-yl)-N-[(1R,2R)-2-hydroxycyclopentyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-(3-amino-4-methyl-1H-indazol-5-yl)-N-[(1R,2R)-2-hydroxycyclopentyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-(3-amino-4-methyl-1H-indazol-5-yl)-N-[(1R,2R)-2-hydroxycyclopentyl]-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2O)ccc1-c1ccc2[nH]nc(N)c2c1C.
What is the InChIKey of 4-(3-amino-4-methyl-1H-indazol-5-yl)-N-[(1R,2R)-2-hydroxycyclopentyl]-3-methylbenzenesulfonamide?
The InChIKey is YQJSIXYGAIWNBO-SJLPKXTDSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-11-10-13(28(26,27)24-16-4-3-5-18(16)25)6-7-14(11)15-8-9-17-19(12(15)2)20(21)23-22-17/h6-10,16,18,24-25H,3-5H2,1-2H3,(H3,21,22,23)/t16-,18-/m1/s1.
What are the key properties of 4-(3-amino-4-methyl-1H-indazol-5-yl)-N-[(1R,2R)-2-hydroxycyclopentyl]-3-methylbenzenesulfonamide?
4-(3-amino-4-methyl-1H-indazol-5-yl)-N-[(1R,2R)-2-hydroxycyclopentyl]-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-[(1R,2R)-2-hydroxycyclopentyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 134362114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).