3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide

C14H15ClN2O2S — CID 61105167

IUPAC3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1Cl)S(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C14H15ClN2O2S/c1-17(10-11-5-2-3-8-14(11)15)20(18,19)13-7-4-6-12(16)9-13/h2-9H,10,16H2,1H3
InChIKeyUVDAQASNTWKDQQ-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.74
Rot. Bonds4

About 3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide

3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide (PubChem CID 61105167) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
PubChem CID61105167
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1Cl)S(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C14H15ClN2O2S/c1-17(10-11-5-2-3-8-14(11)15)20(18,19)13-7-4-6-12(16)9-13/h2-9H,10,16H2,1H3
InChIKeyUVDAQASNTWKDQQ-UHFFFAOYSA-N
XLogP2.74
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide (CID 61105167) is 3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide is CN(Cc1ccccc1Cl)S(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is UVDAQASNTWKDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-17(10-11-5-2-3-8-14(11)15)20(18,19)13-7-4-6-12(16)9-13/h2-9H,10,16H2,1H3.
What are the key properties of 3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide?
3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 310.81 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 61105167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).