5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylbenzenesulfonamide

C15H17ClN2O2S — CID 61105357

IUPAC5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)N(C)Cc1ccccc1Cl
InChIInChI=1S/C15H17ClN2O2S/c1-11-7-8-13(17)9-15(11)21(19,20)18(2)10-12-5-3-4-6-14(12)16/h3-9H,10,17H2,1-2H3
InChIKeyKDPMZMWXOCWNHA-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.05
Rot. Bonds4

About 5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylbenzenesulfonamide

5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylbenzenesulfonamide (PubChem CID 61105357) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylbenzenesulfonamide
PubChem CID61105357
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)N(C)Cc1ccccc1Cl
InChIInChI=1S/C15H17ClN2O2S/c1-11-7-8-13(17)9-15(11)21(19,20)18(2)10-12-5-3-4-6-14(12)16/h3-9H,10,17H2,1-2H3
InChIKeyKDPMZMWXOCWNHA-UHFFFAOYSA-N
XLogP3.05
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.05
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

3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105167
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937774
2-amino-4-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105926
5-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methylbenzamide
CID 34035463
2-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylbenzenesulfonamide
CID 61106488
1-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanesulfonamide
CID 61105924
4-amino-N-[(2-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61125375
5-amino-N-[(4-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61106294
5-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60892303
5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271671
N-[(5-amino-2-chlorophenyl)methyl]-3-chloro-N-methylbenzenesulfonamide
CID 43550905
5-amino-N,2-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 62001461

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylbenzenesulfonamide (CID 61105357) is 5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylbenzenesulfonamide is Cc1ccc(N)cc1S(=O)(=O)N(C)Cc1ccccc1Cl.
What is the InChIKey of 5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylbenzenesulfonamide?
The InChIKey is KDPMZMWXOCWNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-11-7-8-13(17)9-15(11)21(19,20)18(2)10-12-5-3-4-6-14(12)16/h3-9H,10,17H2,1-2H3.
What are the key properties of 5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylbenzenesulfonamide?
5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylbenzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 61105357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).