4-(benzenesulfonyl)-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide

C18H20BrN3O3S — CID 108899617

IUPAC4-(benzenesulfonyl)-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H20BrN3O3S/c19-16-8-6-15(7-9-16)14-20-18(23)21-10-12-22(13-11-21)26(24,25)17-4-2-1-3-5-17/h1-9H,10-14H2,(H,20,23)
InChIKeyRQHIWGWVYQAZAE-UHFFFAOYSA-N
MW438.35 g/mol
LogP2.67
Rot. Bonds4

About 4-(benzenesulfonyl)-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide

4-(benzenesulfonyl)-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide (PubChem CID 108899617) has the molecular formula C18H20BrN3O3S and a molecular weight of 438.35 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide
PubChem CID108899617
Molecular FormulaC18H20BrN3O3S
Molecular Weight438.35 g/mol
Exact Mass437.04
IUPAC Name4-(benzenesulfonyl)-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H20BrN3O3S/c19-16-8-6-15(7-9-16)14-20-18(23)21-10-12-22(13-11-21)26(24,25)17-4-2-1-3-5-17/h1-9H,10-14H2,(H,20,23)
InChIKeyRQHIWGWVYQAZAE-UHFFFAOYSA-N
XLogP2.67
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(benzenesulfonyl)-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide 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-(benzenesulfonyl)-N-[(3-bromophenyl)methyl]piperazine-1-carboxamide
CID 60601958
N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide
CID 23849761
N-benzyl-4-(4-bromophenyl)piperazine-1-carboxamide
CID 113106592
4-(benzenesulfonyl)-N-(methoxymethyl)piperazine-1-carboxamide
CID 108893693
4-(benzenesulfonyl)-N-[3-(4-bromo-2-chlorophenoxy)propyl]piperazine-1-carboxamide
CID 108882635
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-benzylacetamide
CID 6467232
4-(benzenesulfonyl)-N-[(E)-prop-1-enyl]piperazine-1-carboxamide
CID 108909745
4-(4-chlorophenyl)sulfonyl-N-[[4-(diethylcarbamoyl)phenyl]methyl]piperazine-1-carboxamide
CID 55795812
4-(benzenesulfonyl)-N-[3-[benzyl(methyl)amino]propyl]piperazine-1-carboxamide
CID 52570185
[4-(benzenesulfonyl)piperazin-1-yl]-[1-[(4-bromophenyl)methyl]piperidin-3-yl]methanone
CID 43926332
4-(4-chlorophenyl)sulfonyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide
CID 55794689
4-(benzenesulfonyl)-N-[(4-methylphenoxy)methyl]piperazine-1-carboxamide
CID 108893148

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(benzenesulfonyl)-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide (CID 108899617) is 4-(benzenesulfonyl)-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide is O=C(NCc1ccc(Br)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 4-(benzenesulfonyl)-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is RQHIWGWVYQAZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O3S/c19-16-8-6-15(7-9-16)14-20-18(23)21-10-12-22(13-11-21)26(24,25)17-4-2-1-3-5-17/h1-9H,10-14H2,(H,20,23).
What are the key properties of 4-(benzenesulfonyl)-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide?
4-(benzenesulfonyl)-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide has a molecular weight of 438.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 108899617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).