N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzenesulfonamide

C14H13F2NO2S2 — CID 1051878

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)cc1
InChIInChI=1S/C14H13F2NO2S2/c1-10-2-8-13(9-3-10)21(18,19)17-11-4-6-12(7-5-11)20-14(15)16/h2-9,14,17H,1H3
InChIKeyKPBWBMRGHUBZHY-UHFFFAOYSA-N
MW329.39 g/mol
LogP4.11
Rot. Bonds5

About N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzenesulfonamide

N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 1051878) has the molecular formula C14H13F2NO2S2 and a molecular weight of 329.39 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzenesulfonamide
PubChem CID1051878
Molecular FormulaC14H13F2NO2S2
Molecular Weight329.39 g/mol
Exact Mass329.04
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)cc1
InChIInChI=1S/C14H13F2NO2S2/c1-10-2-8-13(9-3-10)21(18,19)17-11-4-6-12(7-5-11)20-14(15)16/h2-9,14,17H,1H3
InChIKeyKPBWBMRGHUBZHY-UHFFFAOYSA-N
XLogP4.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpropanamide
CID 22781714
N-[4-(difluoromethylsulfanyl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 3508970
N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylbenzenesulfonamide
CID 7938385
N-[4-(difluoromethylsulfanyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 7586520
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 8701315
(2S)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 41326927
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-phenyl-2-phenylsulfanylacetamide
CID 2953057
4-methyl-N-[4-[(4-propan-2-ylphenyl)methylsulfanyl]phenyl]benzenesulfonamide
CID 141122627
(2R)-2-(4-chlorophenyl)sulfanyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide
CID 93487348
4-methyl-N-[4-(2-methylpropylamino)phenyl]benzenesulfonamide
CID 112980396

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzenesulfonamide (CID 1051878) is N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is KPBWBMRGHUBZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2S2/c1-10-2-8-13(9-3-10)21(18,19)17-11-4-6-12(7-5-11)20-14(15)16/h2-9,14,17H,1H3.
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzenesulfonamide?
N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 329.39 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 1051878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).