3-amino-4-chloro-N-ethyl-N-phenylbenzenesulfonamide

C14H15ClN2O2S — CID 3774261

IUPAC3-amino-4-chloro-N-ethyl-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C14H15ClN2O2S/c1-2-17(11-6-4-3-5-7-11)20(18,19)12-8-9-13(15)14(16)10-12/h3-10H,2,16H2,1H3
InChIKeyADXNDRWIQBHXKF-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.14
Rot. Bonds4

About 3-amino-4-chloro-N-ethyl-N-phenylbenzenesulfonamide

3-amino-4-chloro-N-ethyl-N-phenylbenzenesulfonamide (PubChem CID 3774261) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 3-amino-4-chloro-N-ethyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-ethyl-N-phenylbenzenesulfonamide
PubChem CID3774261
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name3-amino-4-chloro-N-ethyl-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C14H15ClN2O2S/c1-2-17(11-6-4-3-5-7-11)20(18,19)12-8-9-13(15)14(16)10-12/h3-10H,2,16H2,1H3
InChIKeyADXNDRWIQBHXKF-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
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-4-chloro-N-ethyl-N-phenylbenzenesulfonamide?
The IUPAC name of 3-amino-4-chloro-N-ethyl-N-phenylbenzenesulfonamide (CID 3774261) is 3-amino-4-chloro-N-ethyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-chloro-N-ethyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-chloro-N-ethyl-N-phenylbenzenesulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 3-amino-4-chloro-N-ethyl-N-phenylbenzenesulfonamide?
The InChIKey is ADXNDRWIQBHXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-2-17(11-6-4-3-5-7-11)20(18,19)12-8-9-13(15)14(16)10-12/h3-10H,2,16H2,1H3.
What are the key properties of 3-amino-4-chloro-N-ethyl-N-phenylbenzenesulfonamide?
3-amino-4-chloro-N-ethyl-N-phenylbenzenesulfonamide has a molecular weight of 310.81 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-ethyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 3774261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).