2-(4-bromophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-sulfonamide

C13H14BrN3O2S2 — CID 119967216

IUPAC2-(4-bromophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-sulfonamide
SMILESO=S(=O)(NC1CCNC1)c1csc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C13H14BrN3O2S2/c14-10-3-1-9(2-4-10)13-16-12(8-20-13)21(18,19)17-11-5-6-15-7-11/h1-4,8,11,15,17H,5-7H2
InChIKeyGVCPKNQTMZUKOE-UHFFFAOYSA-N
MW388.31 g/mol
LogP2.21
Rot. Bonds4

About 2-(4-bromophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-sulfonamide

2-(4-bromophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-sulfonamide (PubChem CID 119967216) has the molecular formula C13H14BrN3O2S2 and a molecular weight of 388.31 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-sulfonamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-sulfonamide
PubChem CID119967216
Molecular FormulaC13H14BrN3O2S2
Molecular Weight388.31 g/mol
Exact Mass386.97
IUPAC Name2-(4-bromophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-sulfonamide
SMILESO=S(=O)(NC1CCNC1)c1csc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C13H14BrN3O2S2/c14-10-3-1-9(2-4-10)13-16-12(8-20-13)21(18,19)17-11-5-6-15-7-11/h1-4,8,11,15,17H,5-7H2
InChIKeyGVCPKNQTMZUKOE-UHFFFAOYSA-N
XLogP2.21
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-sulfonamide?
The IUPAC name of 2-(4-bromophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-sulfonamide (CID 119967216) is 2-(4-bromophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-sulfonamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-sulfonamide?
The canonical SMILES for 2-(4-bromophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-sulfonamide is O=S(=O)(NC1CCNC1)c1csc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-sulfonamide?
The InChIKey is GVCPKNQTMZUKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S2/c14-10-3-1-9(2-4-10)13-16-12(8-20-13)21(18,19)17-11-5-6-15-7-11/h1-4,8,11,15,17H,5-7H2.
What are the key properties of 2-(4-bromophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-sulfonamide?
2-(4-bromophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-sulfonamide has a molecular weight of 388.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-sulfonamide is sourced from PubChem (CID 119967216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).