4-(benzenesulfonyl)-N-[3-(4-methoxyphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide

C24H19N3O5S3 — CID 23589786

IUPAC4-(benzenesulfonyl)-N-[3-(4-methoxyphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide
SMILESCOc1ccc(-c2n[nH]c3ccc(NS(=O)(=O)c4cc(S(=O)(=O)c5ccccc5)cs4)cc23)cc1
InChIInChI=1S/C24H19N3O5S3/c1-32-18-10-7-16(8-11-18)24-21-13-17(9-12-22(21)25-26-24)27-35(30,31)23-14-20(15-33-23)34(28,29)19-5-3-2-4-6-19/h2-15,27H,1H3,(H,25,26)
InChIKeyHBVUKYGQMMWAQC-UHFFFAOYSA-N
MW525.63 g/mol
LogP4.93
Rot. Bonds7

About 4-(benzenesulfonyl)-N-[3-(4-methoxyphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide

4-(benzenesulfonyl)-N-[3-(4-methoxyphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide (PubChem CID 23589786) has the molecular formula C24H19N3O5S3 and a molecular weight of 525.63 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-[3-(4-methoxyphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-[3-(4-methoxyphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide
PubChem CID23589786
Molecular FormulaC24H19N3O5S3
Molecular Weight525.63 g/mol
Exact Mass525.05
IUPAC Name4-(benzenesulfonyl)-N-[3-(4-methoxyphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide
SMILESCOc1ccc(-c2n[nH]c3ccc(NS(=O)(=O)c4cc(S(=O)(=O)c5ccccc5)cs4)cc23)cc1
InChIInChI=1S/C24H19N3O5S3/c1-32-18-10-7-16(8-11-18)24-21-13-17(9-12-22(21)25-26-24)27-35(30,31)23-14-20(15-33-23)34(28,29)19-5-3-2-4-6-19/h2-15,27H,1H3,(H,25,26)
InChIKeyHBVUKYGQMMWAQC-UHFFFAOYSA-N
XLogP4.93
TPSA118.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.63
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(4-methoxyphenyl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
CID 22567224
2-methylsulfonyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]benzenesulfonamide
CID 22567097
N-(4-methoxyphenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134871
4-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide
CID 2811092
4-[[3-(4-methoxyphenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid
CID 22479778
4-methoxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 1203751
N-[3-[4-(hydroxymethyl)phenyl]-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
CID 22567135
N-[3-(3-aminophenyl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide;N-[3-(4-aminophenyl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
CID 157179308
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide
CID 50839340
N-[3-(3-amino-4-methylphenyl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
CID 22567262
N-(3-phenyl-1H-indazol-5-yl)piperidine-4-sulfonamide
CID 22567034
N-(4-methoxyphenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
CID 53134962

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-[3-(4-methoxyphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide?
The IUPAC name of 4-(benzenesulfonyl)-N-[3-(4-methoxyphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide (CID 23589786) is 4-(benzenesulfonyl)-N-[3-(4-methoxyphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-[3-(4-methoxyphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-[3-(4-methoxyphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide is COc1ccc(-c2n[nH]c3ccc(NS(=O)(=O)c4cc(S(=O)(=O)c5ccccc5)cs4)cc23)cc1.
What is the InChIKey of 4-(benzenesulfonyl)-N-[3-(4-methoxyphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide?
The InChIKey is HBVUKYGQMMWAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O5S3/c1-32-18-10-7-16(8-11-18)24-21-13-17(9-12-22(21)25-26-24)27-35(30,31)23-14-20(15-33-23)34(28,29)19-5-3-2-4-6-19/h2-15,27H,1H3,(H,25,26).
What are the key properties of 4-(benzenesulfonyl)-N-[3-(4-methoxyphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide?
4-(benzenesulfonyl)-N-[3-(4-methoxyphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide has a molecular weight of 525.63 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-[3-(4-methoxyphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 23589786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).