N-(3-chlorophenyl)benzenesulfonamide

C12H10ClNO2S — CID 555626

IUPACN-(3-chlorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C12H10ClNO2S/c13-10-5-4-6-11(9-10)14-17(15,16)12-7-2-1-3-8-12/h1-9,14H
InChIKeyCSVDFRYULHBWFQ-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.14
Rot. Bonds3

About N-(3-chlorophenyl)benzenesulfonamide

N-(3-chlorophenyl)benzenesulfonamide (PubChem CID 555626) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is N-(3-chlorophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)benzenesulfonamide
PubChem CID555626
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC NameN-(3-chlorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C12H10ClNO2S/c13-10-5-4-6-11(9-10)14-17(15,16)12-7-2-1-3-8-12/h1-9,14H
InChIKeyCSVDFRYULHBWFQ-UHFFFAOYSA-N
XLogP3.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)benzenesulfonamide?
The IUPAC name of N-(3-chlorophenyl)benzenesulfonamide (CID 555626) is N-(3-chlorophenyl)benzenesulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)benzenesulfonamide?
The canonical SMILES for N-(3-chlorophenyl)benzenesulfonamide is O=S(=O)(Nc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of N-(3-chlorophenyl)benzenesulfonamide?
The InChIKey is CSVDFRYULHBWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c13-10-5-4-6-11(9-10)14-17(15,16)12-7-2-1-3-8-12/h1-9,14H.
What are the key properties of N-(3-chlorophenyl)benzenesulfonamide?
N-(3-chlorophenyl)benzenesulfonamide has a molecular weight of 267.74 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)benzenesulfonamide is sourced from PubChem (CID 555626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).