2-(4-bromophenyl)-1,3-thiazole-5-sulfonamide

C9H7BrN2O2S2 — CID 167727665

IUPAC2-(4-bromophenyl)-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C9H7BrN2O2S2/c10-7-3-1-6(2-4-7)9-12-5-8(15-9)16(11,13)14/h1-5H,(H2,11,13,14)
InChIKeyXPMGPPDWTNMTQK-UHFFFAOYSA-N
MW319.21 g/mol
LogP2.22
Rot. Bonds2

About 2-(4-bromophenyl)-1,3-thiazole-5-sulfonamide

2-(4-bromophenyl)-1,3-thiazole-5-sulfonamide (PubChem CID 167727665) has the molecular formula C9H7BrN2O2S2 and a molecular weight of 319.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-1,3-thiazole-5-sulfonamide
PubChem CID167727665
Molecular FormulaC9H7BrN2O2S2
Molecular Weight319.21 g/mol
Exact Mass317.91
IUPAC Name2-(4-bromophenyl)-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C9H7BrN2O2S2/c10-7-3-1-6(2-4-7)9-12-5-8(15-9)16(11,13)14/h1-5H,(H2,11,13,14)
InChIKeyXPMGPPDWTNMTQK-UHFFFAOYSA-N
XLogP2.22
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-(4-bromophenyl)-1,3-thiazole-5-sulfonamide (CID 167727665) is 2-(4-bromophenyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-(4-bromophenyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-(4-bromophenyl)-1,3-thiazole-5-sulfonamide is NS(=O)(=O)c1cnc(-c2ccc(Br)cc2)s1.
What is the InChIKey of 2-(4-bromophenyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is XPMGPPDWTNMTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2S2/c10-7-3-1-6(2-4-7)9-12-5-8(15-9)16(11,13)14/h1-5H,(H2,11,13,14).
What are the key properties of 2-(4-bromophenyl)-1,3-thiazole-5-sulfonamide?
2-(4-bromophenyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 319.21 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 167727665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).