N-[4-(4-chlorophenoxy)phenyl]methanesulfonamide

C13H12ClNO3S — CID 17283107

IUPACN-[4-(4-chlorophenoxy)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H12ClNO3S/c1-19(16,17)15-11-4-8-13(9-5-11)18-12-6-2-10(14)3-7-12/h2-9,15H,1H3
InChIKeyYGOFDNVCADVZHW-UHFFFAOYSA-N
MW297.76 g/mol
LogP3.50
Rot. Bonds4

About N-[4-(4-chlorophenoxy)phenyl]methanesulfonamide

N-[4-(4-chlorophenoxy)phenyl]methanesulfonamide (PubChem CID 17283107) has the molecular formula C13H12ClNO3S and a molecular weight of 297.76 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)phenyl]methanesulfonamide
PubChem CID17283107
Molecular FormulaC13H12ClNO3S
Molecular Weight297.76 g/mol
Exact Mass297.02
IUPAC NameN-[4-(4-chlorophenoxy)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H12ClNO3S/c1-19(16,17)15-11-4-8-13(9-5-11)18-12-6-2-10(14)3-7-12/h2-9,15H,1H3
InChIKeyYGOFDNVCADVZHW-UHFFFAOYSA-N
XLogP3.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide
CID 5010043
N-[4-[4-(methylsulfonylmethyl)phenoxy]phenyl]methanesulfonamide
CID 1269047
N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
CID 1292287
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
(E)-2-(4-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]ethenesulfonamide
CID 31073687
N-[4-[4-[(4-oxopiperidin-1-yl)methyl]phenoxy]phenyl]methanesulfonamide
CID 58688842
N-[4-(4-chlorophenoxy)phenyl]-4-cyanobenzenesulfonamide
CID 3735130
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
5-chloro-N-[4-(4-chlorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 3854841
N-[4-[2-(4-chlorophenyl)acetyl]phenyl]methanesulfonamide
CID 43339023
4-(4-chlorophenoxy)benzenesulfonyl chloride;ethane
CID 143162061
N-[4-acetyl-2-(4-chlorophenoxy)phenyl]methanesulfonamide
CID 10246598

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(4-chlorophenoxy)phenyl]methanesulfonamide (CID 17283107) is N-[4-(4-chlorophenoxy)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(4-chlorophenoxy)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(4-chlorophenoxy)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-(4-chlorophenoxy)phenyl]methanesulfonamide?
The InChIKey is YGOFDNVCADVZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3S/c1-19(16,17)15-11-4-8-13(9-5-11)18-12-6-2-10(14)3-7-12/h2-9,15H,1H3.
What are the key properties of N-[4-(4-chlorophenoxy)phenyl]methanesulfonamide?
N-[4-(4-chlorophenoxy)phenyl]methanesulfonamide has a molecular weight of 297.76 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)phenyl]methanesulfonamide is sourced from PubChem (CID 17283107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).