5-amino-N-(2-chlorophenyl)-2-piperidin-1-ylbenzenesulfonamide

C17H20ClN3O2S — CID 3767555

IUPAC5-amino-N-(2-chlorophenyl)-2-piperidin-1-ylbenzenesulfonamide
SMILESNc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C17H20ClN3O2S/c18-14-6-2-3-7-15(14)20-24(22,23)17-12-13(19)8-9-16(17)21-10-4-1-5-11-21/h2-3,6-9,12,20H,1,4-5,10-11,19H2
InChIKeyLNGLAVNYIGVDPC-UHFFFAOYSA-N
MW365.89 g/mol
LogP3.71
Rot. Bonds4

About 5-amino-N-(2-chlorophenyl)-2-piperidin-1-ylbenzenesulfonamide

5-amino-N-(2-chlorophenyl)-2-piperidin-1-ylbenzenesulfonamide (PubChem CID 3767555) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is 5-amino-N-(2-chlorophenyl)-2-piperidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-chlorophenyl)-2-piperidin-1-ylbenzenesulfonamide
PubChem CID3767555
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC Name5-amino-N-(2-chlorophenyl)-2-piperidin-1-ylbenzenesulfonamide
SMILESNc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C17H20ClN3O2S/c18-14-6-2-3-7-15(14)20-24(22,23)17-12-13(19)8-9-16(17)21-10-4-1-5-11-21/h2-3,6-9,12,20H,1,4-5,10-11,19H2
InChIKeyLNGLAVNYIGVDPC-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': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-Chlorophenyl)-4-(phenylsulfonyl)piperazine
CID 710994
5-amino-N-(2-chlorophenyl)-2-(morpholin-4-yl)benzene-1-sulfonamide
CID 5010173
5-Amino-N-(4-chloro-phenyl)-2-piperidin-1-yl-benzenesulfonamide
CID 3422328
3-Amino-4-chloro-N-ethyl-N-phenylbenzenesulfonamide
CID 3774261
N-(4-Piperidin-1-yl-phenyl)-benzenesulfonamide
CID 735886
3-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
CID 2489123
1-[3-[(2-Chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-prop-2-enylthiourea
CID 3635236
5-amino-N-(2,5-dichlorophenyl)-2-(morpholin-4-yl)benzene-1-sulfonamide
CID 3870175
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide
CID 23604931
3-amino-N-(2-chlorophenyl)-4-(piperidin-1-yl)benzene-1-sulfonamide
CID 3713455
N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-methylpropanamide
CID 4173641
1-(Benzenesulfonyl)-4-(4-chlorophenyl)piperazine
CID 4383280

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-chlorophenyl)-2-piperidin-1-ylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(2-chlorophenyl)-2-piperidin-1-ylbenzenesulfonamide (CID 3767555) is 5-amino-N-(2-chlorophenyl)-2-piperidin-1-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2-chlorophenyl)-2-piperidin-1-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2-chlorophenyl)-2-piperidin-1-ylbenzenesulfonamide is Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of 5-amino-N-(2-chlorophenyl)-2-piperidin-1-ylbenzenesulfonamide?
The InChIKey is LNGLAVNYIGVDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c18-14-6-2-3-7-15(14)20-24(22,23)17-12-13(19)8-9-16(17)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 5-amino-N-(2-chlorophenyl)-2-piperidin-1-ylbenzenesulfonamide?
5-amino-N-(2-chlorophenyl)-2-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 5-amino-N-(2-chlorophenyl)-2-piperidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 3767555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).