5-bromo-N-[4-(pyridine-4-carbonyl)phenyl]thiophene-2-sulfonamide

C16H11BrN2O3S2 — CID 1251341

IUPAC5-bromo-N-[4-(pyridine-4-carbonyl)phenyl]thiophene-2-sulfonamide
SMILESO=C(c1ccncc1)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C16H11BrN2O3S2/c17-14-5-6-15(23-14)24(21,22)19-13-3-1-11(2-4-13)16(20)12-7-9-18-10-8-12/h1-10,19H
InChIKeyMVHVAAATZDWQPV-UHFFFAOYSA-N
MW423.31 g/mol
LogP3.94
Rot. Bonds5

About 5-bromo-N-[4-(pyridine-4-carbonyl)phenyl]thiophene-2-sulfonamide

5-bromo-N-[4-(pyridine-4-carbonyl)phenyl]thiophene-2-sulfonamide (PubChem CID 1251341) has the molecular formula C16H11BrN2O3S2 and a molecular weight of 423.31 g/mol. Its IUPAC name is 5-bromo-N-[4-(pyridine-4-carbonyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[4-(pyridine-4-carbonyl)phenyl]thiophene-2-sulfonamide
PubChem CID1251341
Molecular FormulaC16H11BrN2O3S2
Molecular Weight423.31 g/mol
Exact Mass421.94
IUPAC Name5-bromo-N-[4-(pyridine-4-carbonyl)phenyl]thiophene-2-sulfonamide
SMILESO=C(c1ccncc1)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C16H11BrN2O3S2/c17-14-5-6-15(23-14)24(21,22)19-13-3-1-11(2-4-13)16(20)12-7-9-18-10-8-12/h1-10,19H
InChIKeyMVHVAAATZDWQPV-UHFFFAOYSA-N
XLogP3.94
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.31
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(pyridine-4-carbonyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[4-(pyridine-4-carbonyl)phenyl]thiophene-2-sulfonamide (CID 1251341) is 5-bromo-N-[4-(pyridine-4-carbonyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[4-(pyridine-4-carbonyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[4-(pyridine-4-carbonyl)phenyl]thiophene-2-sulfonamide is O=C(c1ccncc1)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 5-bromo-N-[4-(pyridine-4-carbonyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is MVHVAAATZDWQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O3S2/c17-14-5-6-15(23-14)24(21,22)19-13-3-1-11(2-4-13)16(20)12-7-9-18-10-8-12/h1-10,19H.
What are the key properties of 5-bromo-N-[4-(pyridine-4-carbonyl)phenyl]thiophene-2-sulfonamide?
5-bromo-N-[4-(pyridine-4-carbonyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 423.31 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(pyridine-4-carbonyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 1251341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).