N-(4-chlorophenyl)-4-methylbenzenesulfinamide

C13H12ClNOS — CID 581510

IUPACN-(4-chlorophenyl)-4-methylbenzenesulfinamide
SMILESCc1ccc(S(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H12ClNOS/c1-10-2-8-13(9-3-10)17(16)15-12-6-4-11(14)5-7-12/h2-9,15H,1H3
InChIKeyGTMZBMYDQOKIKB-UHFFFAOYSA-N
MW265.77 g/mol
LogP3.78
Rot. Bonds3

About N-(4-chlorophenyl)-4-methylbenzenesulfinamide

N-(4-chlorophenyl)-4-methylbenzenesulfinamide (PubChem CID 581510) has the molecular formula C13H12ClNOS and a molecular weight of 265.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-methylbenzenesulfinamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-methylbenzenesulfinamide
PubChem CID581510
Molecular FormulaC13H12ClNOS
Molecular Weight265.77 g/mol
Exact Mass265.03
IUPAC NameN-(4-chlorophenyl)-4-methylbenzenesulfinamide
SMILESCc1ccc(S(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H12ClNOS/c1-10-2-8-13(9-3-10)17(16)15-12-6-4-11(14)5-7-12/h2-9,15H,1H3
InChIKeyGTMZBMYDQOKIKB-UHFFFAOYSA-N
XLogP3.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-acetylphenyl)-4-chlorobenzenesulfinamide
CID 577763
4-chloro-N-methylbenzenesulfinamide
CID 143373382
4-chloro-2-deuterio-N-phenylbenzenesulfinamide
CID 12568382
1-methyl-4-(sulfinoamino)benzene
CID 19072501
1-chloro-4-methylbenzene;zinc
CID 174694335
4-(4-chlorophenyl)sulfinyl-N-methylaniline
CID 53343997
[(4-methylphenyl)sulfinylamino]phosphonous acid
CID 167063351
(2S)-2-amino-3-[5-(4-chlorophenyl)sulfinamoyl-2-methylphenyl]propanoic acid
CID 177279901
2-methyl-N-(4-methylphenyl)propane-2-sulfinamide
CID 76528798
(R)-4-methylbenzenesulfinyl chloride
CID 98048897
4-chloro-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfinamide
CID 138715674
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-methylbenzenesulfinamide?
The IUPAC name of N-(4-chlorophenyl)-4-methylbenzenesulfinamide (CID 581510) is N-(4-chlorophenyl)-4-methylbenzenesulfinamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-methylbenzenesulfinamide?
The canonical SMILES for N-(4-chlorophenyl)-4-methylbenzenesulfinamide is Cc1ccc(S(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-methylbenzenesulfinamide?
The InChIKey is GTMZBMYDQOKIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNOS/c1-10-2-8-13(9-3-10)17(16)15-12-6-4-11(14)5-7-12/h2-9,15H,1H3.
What are the key properties of N-(4-chlorophenyl)-4-methylbenzenesulfinamide?
N-(4-chlorophenyl)-4-methylbenzenesulfinamide has a molecular weight of 265.77 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-methylbenzenesulfinamide is sourced from PubChem (CID 581510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).