4-amino-N-[1-(4-chlorophenyl)ethyl]-2-methylbenzenesulfonamide

C15H17ClN2O2S — CID 61105766

IUPAC4-amino-N-[1-(4-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-10-9-14(17)7-8-15(10)21(19,20)18-11(2)12-3-5-13(16)6-4-12/h3-9,11,18H,17H2,1-2H3
InChIKeyOUKFIFOLTAJDLG-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.27
Rot. Bonds4

About 4-amino-N-[1-(4-chlorophenyl)ethyl]-2-methylbenzenesulfonamide

4-amino-N-[1-(4-chlorophenyl)ethyl]-2-methylbenzenesulfonamide (PubChem CID 61105766) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 4-amino-N-[1-(4-chlorophenyl)ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[1-(4-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
PubChem CID61105766
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name4-amino-N-[1-(4-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-10-9-14(17)7-8-15(10)21(19,20)18-11(2)12-3-5-13(16)6-4-12/h3-9,11,18H,17H2,1-2H3
InChIKeyOUKFIFOLTAJDLG-UHFFFAOYSA-N
XLogP3.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-bromo-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 61105575
4-amino-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61126824
5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzenesulfonamide
CID 107869104
5-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 61106723
N-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 3816054
2-amino-N-[1-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide
CID 61106700
4-amino-2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 43523987
5-amino-2-chloro-N-(1-phenylethyl)benzenesulfonamide
CID 43094138
4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 60639502
2,5-dichloro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201161
4-tert-butyl-N-[(1S)-1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 40744824
4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzenesulfonamide
CID 79248112

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-chlorophenyl)ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-[1-(4-chlorophenyl)ethyl]-2-methylbenzenesulfonamide (CID 61105766) is 4-amino-N-[1-(4-chlorophenyl)ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-[1-(4-chlorophenyl)ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-[1-(4-chlorophenyl)ethyl]-2-methylbenzenesulfonamide is Cc1cc(N)ccc1S(=O)(=O)NC(C)c1ccc(Cl)cc1.
What is the InChIKey of 4-amino-N-[1-(4-chlorophenyl)ethyl]-2-methylbenzenesulfonamide?
The InChIKey is OUKFIFOLTAJDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-10-9-14(17)7-8-15(10)21(19,20)18-11(2)12-3-5-13(16)6-4-12/h3-9,11,18H,17H2,1-2H3.
What are the key properties of 4-amino-N-[1-(4-chlorophenyl)ethyl]-2-methylbenzenesulfonamide?
4-amino-N-[1-(4-chlorophenyl)ethyl]-2-methylbenzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4-chlorophenyl)ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 61105766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).