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

C18H19BrN2O3S — CID 2382518

IUPACN-(4-bromo-3-methylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)ccc1Br
InChIInChI=1S/C18H19BrN2O3S/c1-13-11-15(7-8-17(13)19)20-18(22)14-5-4-6-16(12-14)25(23,24)21-9-2-3-10-21/h4-8,11-12H,2-3,9-10H2,1H3,(H,20,22)
InChIKeyXQWLZJPZRYVXEI-UHFFFAOYSA-N
MW423.33 g/mol
LogP3.79
Rot. Bonds4

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

N-(4-bromo-3-methylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 2382518) has the molecular formula C18H19BrN2O3S and a molecular weight of 423.33 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID2382518
Molecular FormulaC18H19BrN2O3S
Molecular Weight423.33 g/mol
Exact Mass422.03
IUPAC NameN-(4-bromo-3-methylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)ccc1Br
InChIInChI=1S/C18H19BrN2O3S/c1-13-11-15(7-8-17(13)19)20-18(22)14-5-4-6-16(12-14)25(23,24)21-9-2-3-10-21/h4-8,11-12H,2-3,9-10H2,1H3,(H,20,22)
InChIKeyXQWLZJPZRYVXEI-UHFFFAOYSA-N
XLogP3.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-bromo-3-methylphenyl)-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

N-(4-bromo-3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2710113
N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1250095
N-(4-bromo-3-methylphenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 41152859
3-(azepan-1-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)benzamide
CID 9119993
N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2711494
3-(azepan-1-ylsulfonyl)-N-(3-methylsulfonylphenyl)benzamide
CID 26722877
3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 3242230
N-[4-(methylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19257416
3-piperidin-1-ylsulfonyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 66872671
N-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2682841
2-chloro-N-methyl-5-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 55835241
N-(4-fluoro-3-methylphenyl)-3-(1,4-oxazepan-4-ylsulfonyl)benzamide
CID 123184223

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide (CID 2382518) is N-(4-bromo-3-methylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide is Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is XQWLZJPZRYVXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3S/c1-13-11-15(7-8-17(13)19)20-18(22)14-5-4-6-16(12-14)25(23,24)21-9-2-3-10-21/h4-8,11-12H,2-3,9-10H2,1H3,(H,20,22).
What are the key properties of N-(4-bromo-3-methylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
N-(4-bromo-3-methylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 423.33 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2382518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).