2-(3-chlorophenyl)sulfonyl-N-methyl-4-piperazin-1-ylaniline

C17H20ClN3O2S — CID 140652363

IUPAC2-(3-chlorophenyl)sulfonyl-N-methyl-4-piperazin-1-ylaniline
SMILESCNc1ccc(N2CCNCC2)cc1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H20ClN3O2S/c1-19-16-6-5-14(21-9-7-20-8-10-21)12-17(16)24(22,23)15-4-2-3-13(18)11-15/h2-6,11-12,19-20H,7-10H2,1H3
InChIKeyWKRJWANKXMYFDG-UHFFFAOYSA-N
MW365.89 g/mol
LogP2.62
Rot. Bonds4

About 2-(3-chlorophenyl)sulfonyl-N-methyl-4-piperazin-1-ylaniline

2-(3-chlorophenyl)sulfonyl-N-methyl-4-piperazin-1-ylaniline (PubChem CID 140652363) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfonyl-N-methyl-4-piperazin-1-ylaniline.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfonyl-N-methyl-4-piperazin-1-ylaniline
PubChem CID140652363
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC Name2-(3-chlorophenyl)sulfonyl-N-methyl-4-piperazin-1-ylaniline
SMILESCNc1ccc(N2CCNCC2)cc1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H20ClN3O2S/c1-19-16-6-5-14(21-9-7-20-8-10-21)12-17(16)24(22,23)15-4-2-3-13(18)11-15/h2-6,11-12,19-20H,7-10H2,1H3
InChIKeyWKRJWANKXMYFDG-UHFFFAOYSA-N
XLogP2.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzenesulfonyl)-N-methyl-5-piperazin-1-ylaniline
CID 10131620
2-(3-fluorophenyl)sulfonyl-N-methyl-5-piperazin-1-ylaniline
CID 18508958
3-(3-chlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole
CID 22674244
N-[(3-chlorophenyl)methyl]-2-nitro-5-piperazin-1-ylaniline;hydrochloride
CID 67147376
3-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole
CID 10177504
3-piperazin-1-ylbenzenesulfonyl fluoride;hydrochloride
CID 166000810
N-[2-(benzenesulfonamido)-4-piperazin-1-ylphenyl]-2-methylbenzenesulfonamide;hydrochloride
CID 22272444
N-[(3-chlorophenyl)methyl]-4-piperazin-1-ylaniline
CID 162658647
3-(benzenesulfonyl)-5-piperazin-1-yl-1H-indole;hydrochloride
CID 69352721
1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-2,3-dihydroindole
CID 139271456
4-(3-chlorophenyl)sulfonyl-N-methyl-8-(4-methylpiperazin-1-yl)quinolin-3-amine
CID 140652299
N-[2-(benzenesulfonamido)-4-piperazin-1-ylphenyl]-2,3-difluorobenzenesulfonamide
CID 91141043

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfonyl-N-methyl-4-piperazin-1-ylaniline?
The IUPAC name of 2-(3-chlorophenyl)sulfonyl-N-methyl-4-piperazin-1-ylaniline (CID 140652363) is 2-(3-chlorophenyl)sulfonyl-N-methyl-4-piperazin-1-ylaniline.
What is the SMILES notation for 2-(3-chlorophenyl)sulfonyl-N-methyl-4-piperazin-1-ylaniline?
The canonical SMILES for 2-(3-chlorophenyl)sulfonyl-N-methyl-4-piperazin-1-ylaniline is CNc1ccc(N2CCNCC2)cc1S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)sulfonyl-N-methyl-4-piperazin-1-ylaniline?
The InChIKey is WKRJWANKXMYFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c1-19-16-6-5-14(21-9-7-20-8-10-21)12-17(16)24(22,23)15-4-2-3-13(18)11-15/h2-6,11-12,19-20H,7-10H2,1H3.
What are the key properties of 2-(3-chlorophenyl)sulfonyl-N-methyl-4-piperazin-1-ylaniline?
2-(3-chlorophenyl)sulfonyl-N-methyl-4-piperazin-1-ylaniline has a molecular weight of 365.89 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfonyl-N-methyl-4-piperazin-1-ylaniline is sourced from PubChem (CID 140652363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).