N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-phenylbenzenesulfonamide

C24H26N4O2S — CID 3011211

IUPACN-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-phenylbenzenesulfonamide
SMILESCc1[nH]nc2c(NCC(C)C)cc(NS(=O)(=O)c3cccc(-c4ccccc4)c3)cc12
InChIInChI=1S/C24H26N4O2S/c1-16(2)15-25-23-14-20(13-22-17(3)26-27-24(22)23)28-31(29,30)21-11-7-10-19(12-21)18-8-5-4-6-9-18/h4-14,16,25,28H,15H2,1-3H3,(H,26,27)
InChIKeyXFENRFCQGRHSMS-UHFFFAOYSA-N
MW434.57 g/mol
LogP5.41
Rot. Bonds7

About N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-phenylbenzenesulfonamide

N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-phenylbenzenesulfonamide (PubChem CID 3011211) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-phenylbenzenesulfonamide
PubChem CID3011211
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC NameN-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-phenylbenzenesulfonamide
SMILESCc1[nH]nc2c(NCC(C)C)cc(NS(=O)(=O)c3cccc(-c4ccccc4)c3)cc12
InChIInChI=1S/C24H26N4O2S/c1-16(2)15-25-23-14-20(13-22-17(3)26-27-24(22)23)28-31(29,30)21-11-7-10-19(12-21)18-8-5-4-6-9-18/h4-14,16,25,28H,15H2,1-3H3,(H,26,27)
InChIKeyXFENRFCQGRHSMS-UHFFFAOYSA-N
XLogP5.41
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.57
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-phenylbenzenesulfonamide?
The IUPAC name of N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-phenylbenzenesulfonamide (CID 3011211) is N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-phenylbenzenesulfonamide.
What is the SMILES notation for N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-phenylbenzenesulfonamide?
The canonical SMILES for N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-phenylbenzenesulfonamide is Cc1[nH]nc2c(NCC(C)C)cc(NS(=O)(=O)c3cccc(-c4ccccc4)c3)cc12.
What is the InChIKey of N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-phenylbenzenesulfonamide?
The InChIKey is XFENRFCQGRHSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-16(2)15-25-23-14-20(13-22-17(3)26-27-24(22)23)28-31(29,30)21-11-7-10-19(12-21)18-8-5-4-6-9-18/h4-14,16,25,28H,15H2,1-3H3,(H,26,27).
What are the key properties of N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-phenylbenzenesulfonamide?
N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-phenylbenzenesulfonamide has a molecular weight of 434.57 g/mol, XLogP of 5.41, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-phenylbenzenesulfonamide is sourced from PubChem (CID 3011211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).