3-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylbenzenesulfonamide

C15H14ClF2NO3S — CID 3449670

IUPAC3-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2OC(F)F)cc1Cl
InChIInChI=1S/C15H14ClF2NO3S/c1-10-6-7-12(8-13(10)16)23(20,21)19-9-11-4-2-3-5-14(11)22-15(17)18/h2-8,15,19H,9H2,1H3
InChIKeyTZDZQQMMYSTCOU-UHFFFAOYSA-N
MW361.80 g/mol
LogP3.73
Rot. Bonds6

About 3-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylbenzenesulfonamide

3-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylbenzenesulfonamide (PubChem CID 3449670) has the molecular formula C15H14ClF2NO3S and a molecular weight of 361.80 g/mol. Its IUPAC name is 3-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylbenzenesulfonamide
PubChem CID3449670
Molecular FormulaC15H14ClF2NO3S
Molecular Weight361.80 g/mol
Exact Mass361.04
IUPAC Name3-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2OC(F)F)cc1Cl
InChIInChI=1S/C15H14ClF2NO3S/c1-10-6-7-12(8-13(10)16)23(20,21)19-9-11-4-2-3-5-14(11)22-15(17)18/h2-8,15,19H,9H2,1H3
InChIKeyTZDZQQMMYSTCOU-UHFFFAOYSA-N
XLogP3.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 3299523
N-[2-chloro-4-[[2-(difluoromethoxy)phenyl]methylsulfamoyl]phenyl]acetamide
CID 3806370
N-[[2-(difluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 3551979
3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 26948553
1-(3-chloro-4-methylphenyl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea
CID 24612567
2,5-dichloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline
CID 104726373
3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 3673362
3-chloro-4-(difluoromethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62662823
N-[[2-(difluoromethoxy)phenyl]methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 60912231
3-chloro-N-[(3-iodophenyl)methyl]-4-methylbenzenesulfonamide
CID 5017106
3-chloro-4-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzenesulfonamide
CID 110642107
3-chloro-4-(difluoromethoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62662809

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylbenzenesulfonamide (CID 3449670) is 3-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccccc2OC(F)F)cc1Cl.
What is the InChIKey of 3-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is TZDZQQMMYSTCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO3S/c1-10-6-7-12(8-13(10)16)23(20,21)19-9-11-4-2-3-5-14(11)22-15(17)18/h2-8,15,19H,9H2,1H3.
What are the key properties of 3-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylbenzenesulfonamide?
3-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 361.80 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 3449670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).