N-(3-chlorophenyl)-4-ethoxybenzenesulfonamide

C14H14ClNO3S — CID 893367

IUPACN-(3-chlorophenyl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H14ClNO3S/c1-2-19-13-6-8-14(9-7-13)20(17,18)16-12-5-3-4-11(15)10-12/h3-10,16H,2H2,1H3
InChIKeyZHSZPPWCEGYCBK-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.54
Rot. Bonds5

About N-(3-chlorophenyl)-4-ethoxybenzenesulfonamide

N-(3-chlorophenyl)-4-ethoxybenzenesulfonamide (PubChem CID 893367) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-ethoxybenzenesulfonamide
PubChem CID893367
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC NameN-(3-chlorophenyl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H14ClNO3S/c1-2-19-13-6-8-14(9-7-13)20(17,18)16-12-5-3-4-11(15)10-12/h3-10,16H,2H2,1H3
InChIKeyZHSZPPWCEGYCBK-UHFFFAOYSA-N
XLogP3.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-ethoxybenzenesulfonamide?
The IUPAC name of N-(3-chlorophenyl)-4-ethoxybenzenesulfonamide (CID 893367) is N-(3-chlorophenyl)-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-ethoxybenzenesulfonamide?
The InChIKey is ZHSZPPWCEGYCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c1-2-19-13-6-8-14(9-7-13)20(17,18)16-12-5-3-4-11(15)10-12/h3-10,16H,2H2,1H3.
What are the key properties of N-(3-chlorophenyl)-4-ethoxybenzenesulfonamide?
N-(3-chlorophenyl)-4-ethoxybenzenesulfonamide has a molecular weight of 311.79 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 893367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).