5-amino-2-chloro-N-(1-phenylethyl)benzenesulfonamide

C14H15ClN2O2S — CID 43094138

IUPAC5-amino-2-chloro-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(N)ccc1Cl)c1ccccc1
InChIInChI=1S/C14H15ClN2O2S/c1-10(11-5-3-2-4-6-11)17-20(18,19)14-9-12(16)7-8-13(14)15/h2-10,17H,16H2,1H3
InChIKeyMUMMAVTWUOIXCN-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.96
Rot. Bonds4

About 5-amino-2-chloro-N-(1-phenylethyl)benzenesulfonamide

5-amino-2-chloro-N-(1-phenylethyl)benzenesulfonamide (PubChem CID 43094138) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(1-phenylethyl)benzenesulfonamide
PubChem CID43094138
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name5-amino-2-chloro-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(N)ccc1Cl)c1ccccc1
InChIInChI=1S/C14H15ClN2O2S/c1-10(11-5-3-2-4-6-11)17-20(18,19)14-9-12(16)7-8-13(14)15/h2-10,17H,16H2,1H3
InChIKeyMUMMAVTWUOIXCN-UHFFFAOYSA-N
XLogP2.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-2-chloro-N-(1-phenylethyl)benzenesulfonamide 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

2-chloro-5-cyano-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 104918937
2-chloro-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 2412388
4-chloro-N-(1-phenylethyl)naphthalene-1-sulfonamide
CID 91670103
2-chloro-5-(2-chloroacetyl)-N-(1-phenylethyl)benzenesulfonamide
CID 86735248
5-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 61106723
2-amino-N-(1-phenylethyl)benzenesulfonamide
CID 16788499
4-amino-2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 43523987
2,5-dichloro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201161
3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 30079896
3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 7038002
5-amino-2-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106281132
4-amino-N-[1-(4-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 61105766

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(1-phenylethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-(1-phenylethyl)benzenesulfonamide (CID 43094138) is 5-amino-2-chloro-N-(1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-(1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-(1-phenylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1cc(N)ccc1Cl)c1ccccc1.
What is the InChIKey of 5-amino-2-chloro-N-(1-phenylethyl)benzenesulfonamide?
The InChIKey is MUMMAVTWUOIXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-10(11-5-3-2-4-6-11)17-20(18,19)14-9-12(16)7-8-13(14)15/h2-10,17H,16H2,1H3.
What are the key properties of 5-amino-2-chloro-N-(1-phenylethyl)benzenesulfonamide?
5-amino-2-chloro-N-(1-phenylethyl)benzenesulfonamide has a molecular weight of 310.81 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 43094138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).