3-amino-N-(2-chlorophenyl)-4-piperidin-1-ylbenzenesulfonamide

C17H20ClN3O2S — CID 3713455

IUPAC3-amino-N-(2-chlorophenyl)-4-piperidin-1-ylbenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1N1CCCCC1
InChIInChI=1S/C17H20ClN3O2S/c18-14-6-2-3-7-16(14)20-24(22,23)13-8-9-17(15(19)12-13)21-10-4-1-5-11-21/h2-3,6-9,12,20H,1,4-5,10-11,19H2
InChIKeySMMGKKGMWHLNNQ-UHFFFAOYSA-N
MW365.89 g/mol
LogP3.71
Rot. Bonds4

About 3-amino-N-(2-chlorophenyl)-4-piperidin-1-ylbenzenesulfonamide

3-amino-N-(2-chlorophenyl)-4-piperidin-1-ylbenzenesulfonamide (PubChem CID 3713455) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is 3-amino-N-(2-chlorophenyl)-4-piperidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-chlorophenyl)-4-piperidin-1-ylbenzenesulfonamide
PubChem CID3713455
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC Name3-amino-N-(2-chlorophenyl)-4-piperidin-1-ylbenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1N1CCCCC1
InChIInChI=1S/C17H20ClN3O2S/c18-14-6-2-3-7-16(14)20-24(22,23)13-8-9-17(15(19)12-13)21-10-4-1-5-11-21/h2-3,6-9,12,20H,1,4-5,10-11,19H2
InChIKeySMMGKKGMWHLNNQ-UHFFFAOYSA-N
XLogP3.71
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-Chlorophenyl)-4-(phenylsulfonyl)piperazine
CID 710994
N4-(3-chloro-2-(piperidin-1-yl)phenyl)-N1,N1-dimethylbenzene-1,4-disulfonamide
CID 154578372
Piperazine, 1-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfonyl]-
CID 985376
5-Amino-N-(4-chloro-phenyl)-2-piperidin-1-yl-benzenesulfonamide
CID 3422328
3-amino-N-(4-chlorophenyl)-4-(morpholin-4-yl)benzene-1-sulfonamide
CID 3875844
5-Amino-N-(2-chloro-phenyl)-2-piperidin-1-yl-benzenesulfonamide
CID 3767555
3-amino-4-(cyclohexylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 139396850
N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2814220
3-amino-N-(2,5-dichlorophenyl)-4-(pyrrolidin-1-yl)benzene-1-sulfonamide
CID 3840199
3-amino-N-(2,5-dichlorophenyl)-4-(morpholin-4-yl)benzene-1-sulfonamide
CID 3866644
1-[(4-Chlorophenyl)sulfonyl]-4-(4-fluorophenyl)piperazine
CID 985365
3-Amino-4-chloro-N-ethyl-N-phenylbenzenesulfonamide
CID 3774261

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chlorophenyl)-4-piperidin-1-ylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(2-chlorophenyl)-4-piperidin-1-ylbenzenesulfonamide (CID 3713455) is 3-amino-N-(2-chlorophenyl)-4-piperidin-1-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-chlorophenyl)-4-piperidin-1-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-chlorophenyl)-4-piperidin-1-ylbenzenesulfonamide is Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1N1CCCCC1.
What is the InChIKey of 3-amino-N-(2-chlorophenyl)-4-piperidin-1-ylbenzenesulfonamide?
The InChIKey is SMMGKKGMWHLNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c18-14-6-2-3-7-16(14)20-24(22,23)13-8-9-17(15(19)12-13)21-10-4-1-5-11-21/h2-3,6-9,12,20H,1,4-5,10-11,19H2.
What are the key properties of 3-amino-N-(2-chlorophenyl)-4-piperidin-1-ylbenzenesulfonamide?
3-amino-N-(2-chlorophenyl)-4-piperidin-1-ylbenzenesulfonamide has a molecular weight of 365.89 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chlorophenyl)-4-piperidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 3713455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).