4-bromo-N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide

C17H16BrFN2O3S — CID 1341863

IUPAC4-bromo-N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(Br)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C17H16BrFN2O3S/c18-15-7-6-12(17(22)20-14-5-3-4-13(19)11-14)10-16(15)25(23,24)21-8-1-2-9-21/h3-7,10-11H,1-2,8-9H2,(H,20,22)
InChIKeyQTDGTJPWOOPQQU-UHFFFAOYSA-N
MW427.30 g/mol
LogP3.62
Rot. Bonds4

About 4-bromo-N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide

4-bromo-N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 1341863) has the molecular formula C17H16BrFN2O3S and a molecular weight of 427.30 g/mol. Its IUPAC name is 4-bromo-N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID1341863
Molecular FormulaC17H16BrFN2O3S
Molecular Weight427.30 g/mol
Exact Mass426.00
IUPAC Name4-bromo-N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(Br)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C17H16BrFN2O3S/c18-15-7-6-12(17(22)20-14-5-3-4-13(19)11-14)10-16(15)25(23,24)21-8-1-2-9-21/h3-7,10-11H,1-2,8-9H2,(H,20,22)
InChIKeyQTDGTJPWOOPQQU-UHFFFAOYSA-N
XLogP3.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-(3-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 1101775
3-[(4-bromo-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 5128837
4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide
CID 2665307
4-[[3-(azepan-1-ylsulfonyl)-4-bromobenzoyl]amino]benzoate
CID 2173877
4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3248945
4-bromo-N-(4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 1127122
N-(3,5-difluorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 27906900
N-(3-fluorophenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53068868
1-(2,5-dibromophenyl)sulfonyl-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 167954929
N-(3-ethynylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 43042263
N-(3-fluorophenyl)-4-pyrrolidin-1-ylbenzamide
CID 110295195
4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26594011

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-bromo-N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide (CID 1341863) is 4-bromo-N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-bromo-N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-bromo-N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1cccc(F)c1)c1ccc(Br)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 4-bromo-N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is QTDGTJPWOOPQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O3S/c18-15-7-6-12(17(22)20-14-5-3-4-13(19)11-14)10-16(15)25(23,24)21-8-1-2-9-21/h3-7,10-11H,1-2,8-9H2,(H,20,22).
What are the key properties of 4-bromo-N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
4-bromo-N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 427.30 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1341863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).