4-amino-N-[(2-chlorophenyl)methyl]-N-ethylbenzenesulfonamide

C15H17ClN2O2S — CID 61112191

IUPAC4-amino-N-[(2-chlorophenyl)methyl]-N-ethylbenzenesulfonamide
SMILESCCN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-2-18(11-12-5-3-4-6-15(12)16)21(19,20)14-9-7-13(17)8-10-14/h3-10H,2,11,17H2,1H3
InChIKeyDDADCEKIWKBSPT-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.13
Rot. Bonds5

About 4-amino-N-[(2-chlorophenyl)methyl]-N-ethylbenzenesulfonamide

4-amino-N-[(2-chlorophenyl)methyl]-N-ethylbenzenesulfonamide (PubChem CID 61112191) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 4-amino-N-[(2-chlorophenyl)methyl]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[(2-chlorophenyl)methyl]-N-ethylbenzenesulfonamide
PubChem CID61112191
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name4-amino-N-[(2-chlorophenyl)methyl]-N-ethylbenzenesulfonamide
SMILESCCN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-2-18(11-12-5-3-4-6-15(12)16)21(19,20)14-9-7-13(17)8-10-14/h3-10H,2,11,17H2,1H3
InChIKeyDDADCEKIWKBSPT-UHFFFAOYSA-N
XLogP3.13
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-N-[(2-chlorophenyl)methyl]-N-ethylmethanesulfonamide
CID 63666395
4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61105124
4-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 61138237
N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 7510019
3-amino-N-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 43587315
4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 113431290
4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutane-1-sulfonamide
CID 116815301
1-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanesulfonamide
CID 61105924
N-[(2-aminophenyl)methyl]-N-ethyl-1H-pyrazole-4-sulfonamide
CID 54936964
3-[(2-chlorophenyl)methyl-ethylsulfamoyl]propanoic acid
CID 60951558
3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105167
4-[[(4-aminophenyl)methylamino]methyl]-N,N-diethylbenzenesulfonamide
CID 171536135

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-chlorophenyl)methyl]-N-ethylbenzenesulfonamide?
The IUPAC name of 4-amino-N-[(2-chlorophenyl)methyl]-N-ethylbenzenesulfonamide (CID 61112191) is 4-amino-N-[(2-chlorophenyl)methyl]-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-[(2-chlorophenyl)methyl]-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-[(2-chlorophenyl)methyl]-N-ethylbenzenesulfonamide is CCN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[(2-chlorophenyl)methyl]-N-ethylbenzenesulfonamide?
The InChIKey is DDADCEKIWKBSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-2-18(11-12-5-3-4-6-15(12)16)21(19,20)14-9-7-13(17)8-10-14/h3-10H,2,11,17H2,1H3.
What are the key properties of 4-amino-N-[(2-chlorophenyl)methyl]-N-ethylbenzenesulfonamide?
4-amino-N-[(2-chlorophenyl)methyl]-N-ethylbenzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-chlorophenyl)methyl]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 61112191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).