N-(4-chlorophenyl)methanesulfonamide

C7H8ClNO2S — CID 706838

IUPACN-(4-chlorophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C7H8ClNO2S/c1-12(10,11)9-7-4-2-6(8)3-5-7/h2-5,9H,1H3
InChIKeyTZBQEYJPVLKASB-UHFFFAOYSA-N
MW205.67 g/mol
LogP1.71
Rot. Bonds2

About N-(4-chlorophenyl)methanesulfonamide

N-(4-chlorophenyl)methanesulfonamide (PubChem CID 706838) has the molecular formula C7H8ClNO2S and a molecular weight of 205.67 g/mol. Its IUPAC name is N-(4-chlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)methanesulfonamide
PubChem CID706838
Molecular FormulaC7H8ClNO2S
Molecular Weight205.67 g/mol
Exact Mass205.00
IUPAC NameN-(4-chlorophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C7H8ClNO2S/c1-12(10,11)9-7-4-2-6(8)3-5-7/h2-5,9H,1H3
InChIKeyTZBQEYJPVLKASB-UHFFFAOYSA-N
XLogP1.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)methanesulfonamide?
The IUPAC name of N-(4-chlorophenyl)methanesulfonamide (CID 706838) is N-(4-chlorophenyl)methanesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)methanesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)methanesulfonamide is CS(=O)(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)methanesulfonamide?
The InChIKey is TZBQEYJPVLKASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2S/c1-12(10,11)9-7-4-2-6(8)3-5-7/h2-5,9H,1H3.
What are the key properties of N-(4-chlorophenyl)methanesulfonamide?
N-(4-chlorophenyl)methanesulfonamide has a molecular weight of 205.67 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)methanesulfonamide is sourced from PubChem (CID 706838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).