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

C18H20ClN3O3S — CID 9207918

IUPAC4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H20ClN3O3S/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)
InChIKeyRFRVASVULPXIBT-UHFFFAOYSA-N
MW393.90 g/mol
LogP2.56
Rot. Bonds4

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

4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide (PubChem CID 9207918) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
PubChem CID9207918
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC Name4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H20ClN3O3S/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)
InChIKeyRFRVASVULPXIBT-UHFFFAOYSA-N
XLogP2.56
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-4-((4-chlorophenyl)sulfonyl)piperazine
CID 985373
N-(4-chlorobenzyl)-2-{[(4-methylphenyl)sulfonyl]amino}propanamide
CID 2947130
4-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 9207921
3-[(3-Chlorobenzene)sulfonyl]-1-({4-[({[(3-chlorobenzene)sulfonyl]carbamoyl}amino)methyl]phenyl}methyl)urea
CID 24963320
N-(2,4-dichlorobenzyl)-4-(4-fluorophenylsulfonyl)piperidine-1-carboxamide
CID 46225085
N-(2,4-dichlorobenzyl)-4-(4-fluorophenylsulfonamido)piperidine-1-carboxamide
CID 46225086
4-chloro-N-[2-phenyl-2-(piperidin-1-yl)ethyl]benzene-1-sulfonamide
CID 3116171
N-(benzylcarbamoyl)-2-chlorobenzenesulfonamide
CID 744686
N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1327917
N-(4-chlorobenzyl)-N~2~-(2-phenylethyl)-N~2~-(phenylsulfonyl)glycinamide
CID 1343866
1-(3-Chlorobenzyl)-4-(phenylsulfonyl)piperazine
CID 1364863
{[(4-chlorophenyl)methyl]amino}-N-[(4-methylphenyl)sulfonyl]carboxamide
CID 2103195

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide (CID 9207918) is 4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide is O=C(NCc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is RFRVASVULPXIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/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-chlorophenyl)methyl]piperazine-1-carboxamide?
4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide has a molecular weight of 393.90 g/mol, XLogP of 2.56, 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-chlorophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 9207918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).