2-amino-5-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide

C15H17ClN2O2S — CID 61105076

IUPAC2-amino-5-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccccc1C(C)NS(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C15H17ClN2O2S/c1-10-5-3-4-6-13(10)11(2)18-21(19,20)15-9-12(16)7-8-14(15)17/h3-9,11,18H,17H2,1-2H3
InChIKeyYGSOFJFFBDFPMO-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.27
Rot. Bonds4

About 2-amino-5-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide

2-amino-5-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide (PubChem CID 61105076) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
PubChem CID61105076
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name2-amino-5-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccccc1C(C)NS(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C15H17ClN2O2S/c1-10-5-3-4-6-13(10)11(2)18-21(19,20)15-9-12(16)7-8-14(15)17/h3-9,11,18H,17H2,1-2H3
InChIKeyYGSOFJFFBDFPMO-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

2-amino-5-chloro-N-propan-2-ylbenzenesulfonamide
CID 60985820
2-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 61107213
4-amino-3-fluoro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 82845464
2-amino-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide
CID 61105978
2-amino-5-bromo-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide
CID 61110850
2,5-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 22201049
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 81378158
2-amino-5-chloro-N-pentan-2-ylbenzenesulfonamide
CID 54888470
2,5-dichloro-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 92646276
3-amino-5-methyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 61106187
N-[1-(2-methylphenyl)ethyl]-2-nitrobenzenesulfonamide
CID 42999446
4-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-5-propan-2-ylbenzenesulfonamide
CID 100647223

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-5-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide (CID 61105076) is 2-amino-5-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide is Cc1ccccc1C(C)NS(=O)(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 2-amino-5-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide?
The InChIKey is YGSOFJFFBDFPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-10-5-3-4-6-13(10)11(2)18-21(19,20)15-9-12(16)7-8-14(15)17/h3-9,11,18H,17H2,1-2H3.
What are the key properties of 2-amino-5-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide?
2-amino-5-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide 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 2-amino-5-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 61105076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).