2-(benzenesulfonamido)-4-methyl-5-phenylthiophene-3-carboxylic acid

C18H15NO4S2 — CID 56961285

IUPAC2-(benzenesulfonamido)-4-methyl-5-phenylthiophene-3-carboxylic acid
SMILESCc1c(-c2ccccc2)sc(NS(=O)(=O)c2ccccc2)c1C(=O)O
InChIInChI=1S/C18H15NO4S2/c1-12-15(18(20)21)17(24-16(12)13-8-4-2-5-9-13)19-25(22,23)14-10-6-3-7-11-14/h2-11,19H,1H3,(H,20,21)
InChIKeySRUSMXLWNMHZDJ-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.22
Rot. Bonds5

About 2-(benzenesulfonamido)-4-methyl-5-phenylthiophene-3-carboxylic acid

2-(benzenesulfonamido)-4-methyl-5-phenylthiophene-3-carboxylic acid (PubChem CID 56961285) has the molecular formula C18H15NO4S2 and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-4-methyl-5-phenylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(benzenesulfonamido)-4-methyl-5-phenylthiophene-3-carboxylic acid
PubChem CID56961285
Molecular FormulaC18H15NO4S2
Molecular Weight373.45 g/mol
Exact Mass373.04
IUPAC Name2-(benzenesulfonamido)-4-methyl-5-phenylthiophene-3-carboxylic acid
SMILESCc1c(-c2ccccc2)sc(NS(=O)(=O)c2ccccc2)c1C(=O)O
InChIInChI=1S/C18H15NO4S2/c1-12-15(18(20)21)17(24-16(12)13-8-4-2-5-9-13)19-25(22,23)14-10-6-3-7-11-14/h2-11,19H,1H3,(H,20,21)
InChIKeySRUSMXLWNMHZDJ-UHFFFAOYSA-N
XLogP4.22
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-4-methyl-5-phenylthiophene-3-carboxylic acid?
The IUPAC name of 2-(benzenesulfonamido)-4-methyl-5-phenylthiophene-3-carboxylic acid (CID 56961285) is 2-(benzenesulfonamido)-4-methyl-5-phenylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-(benzenesulfonamido)-4-methyl-5-phenylthiophene-3-carboxylic acid?
The canonical SMILES for 2-(benzenesulfonamido)-4-methyl-5-phenylthiophene-3-carboxylic acid is Cc1c(-c2ccccc2)sc(NS(=O)(=O)c2ccccc2)c1C(=O)O.
What is the InChIKey of 2-(benzenesulfonamido)-4-methyl-5-phenylthiophene-3-carboxylic acid?
The InChIKey is SRUSMXLWNMHZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4S2/c1-12-15(18(20)21)17(24-16(12)13-8-4-2-5-9-13)19-25(22,23)14-10-6-3-7-11-14/h2-11,19H,1H3,(H,20,21).
What are the key properties of 2-(benzenesulfonamido)-4-methyl-5-phenylthiophene-3-carboxylic acid?
2-(benzenesulfonamido)-4-methyl-5-phenylthiophene-3-carboxylic acid has a molecular weight of 373.45 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-4-methyl-5-phenylthiophene-3-carboxylic acid is sourced from PubChem (CID 56961285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).