N-[3-(benzenesulfonamido)phenyl]-5-methyl-1H-indazole-3-carboxamide

C21H18N4O3S — CID 78878510

IUPACN-[3-(benzenesulfonamido)phenyl]-5-methyl-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)Nc3cccc(NS(=O)(=O)c4ccccc4)c3)c2c1
InChIInChI=1S/C21H18N4O3S/c1-14-10-11-19-18(12-14)20(24-23-19)21(26)22-15-6-5-7-16(13-15)25-29(27,28)17-8-3-2-4-9-17/h2-13,25H,1H3,(H,22,26)(H,23,24)
InChIKeyGBFUPZQZILVPFM-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.92
Rot. Bonds5

About N-[3-(benzenesulfonamido)phenyl]-5-methyl-1H-indazole-3-carboxamide

N-[3-(benzenesulfonamido)phenyl]-5-methyl-1H-indazole-3-carboxamide (PubChem CID 78878510) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is N-[3-(benzenesulfonamido)phenyl]-5-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonamido)phenyl]-5-methyl-1H-indazole-3-carboxamide
PubChem CID78878510
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC NameN-[3-(benzenesulfonamido)phenyl]-5-methyl-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)Nc3cccc(NS(=O)(=O)c4ccccc4)c3)c2c1
InChIInChI=1S/C21H18N4O3S/c1-14-10-11-19-18(12-14)20(24-23-19)21(26)22-15-6-5-7-16(13-15)25-29(27,28)17-8-3-2-4-9-17/h2-13,25H,1H3,(H,22,26)(H,23,24)
InChIKeyGBFUPZQZILVPFM-UHFFFAOYSA-N
XLogP3.92
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[3-(propan-2-yloxymethyl)phenyl]-1H-indazole-3-carboxamide
CID 86846212
5-methyl-N-(2-methylphenyl)-1H-indazole-3-carboxamide
CID 78859031
N-(3-acetamidophenyl)-1H-indazole-3-carboxamide
CID 9114494
N-(3-fluorophenyl)-6-methyl-4-oxo-1H-cinnoline-3-carboxamide
CID 21241441
5-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]-1H-indazole-3-carboxamide
CID 78867764
N-[2-(dimethylamino)phenyl]-5-methyl-1H-indazole-3-carboxamide
CID 78866275
5-methyl-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 29107106
5-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1H-indazole-3-carboxamide
CID 78868598
1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea
CID 146591354
5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide
CID 99954577
N-[3-(azepan-1-ylsulfonyl)phenyl]-1H-indazole-3-carboxamide
CID 17417619
N-[3-(2,2-dimethylpropanoylamino)phenyl]-1H-indazole-3-carboxamide
CID 30694461

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonamido)phenyl]-5-methyl-1H-indazole-3-carboxamide?
The IUPAC name of N-[3-(benzenesulfonamido)phenyl]-5-methyl-1H-indazole-3-carboxamide (CID 78878510) is N-[3-(benzenesulfonamido)phenyl]-5-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[3-(benzenesulfonamido)phenyl]-5-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[3-(benzenesulfonamido)phenyl]-5-methyl-1H-indazole-3-carboxamide is Cc1ccc2[nH]nc(C(=O)Nc3cccc(NS(=O)(=O)c4ccccc4)c3)c2c1.
What is the InChIKey of N-[3-(benzenesulfonamido)phenyl]-5-methyl-1H-indazole-3-carboxamide?
The InChIKey is GBFUPZQZILVPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-14-10-11-19-18(12-14)20(24-23-19)21(26)22-15-6-5-7-16(13-15)25-29(27,28)17-8-3-2-4-9-17/h2-13,25H,1H3,(H,22,26)(H,23,24).
What are the key properties of N-[3-(benzenesulfonamido)phenyl]-5-methyl-1H-indazole-3-carboxamide?
N-[3-(benzenesulfonamido)phenyl]-5-methyl-1H-indazole-3-carboxamide has a molecular weight of 406.47 g/mol, XLogP of 3.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonamido)phenyl]-5-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 78878510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).