3-chloro-N-(2-chloro-4-methylphenyl)-4-(difluoromethoxy)benzenesulfonamide

C14H11Cl2F2NO3S — CID 39824744

IUPAC3-chloro-N-(2-chloro-4-methylphenyl)-4-(difluoromethoxy)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C14H11Cl2F2NO3S/c1-8-2-4-12(10(15)6-8)19-23(20,21)9-3-5-13(11(16)7-9)22-14(17)18/h2-7,14,19H,1H3
InChIKeyCXGOTMLYMABBRH-UHFFFAOYSA-N
MW382.22 g/mol
LogP4.70
Rot. Bonds5

About 3-chloro-N-(2-chloro-4-methylphenyl)-4-(difluoromethoxy)benzenesulfonamide

3-chloro-N-(2-chloro-4-methylphenyl)-4-(difluoromethoxy)benzenesulfonamide (PubChem CID 39824744) has the molecular formula C14H11Cl2F2NO3S and a molecular weight of 382.22 g/mol. Its IUPAC name is 3-chloro-N-(2-chloro-4-methylphenyl)-4-(difluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-chloro-4-methylphenyl)-4-(difluoromethoxy)benzenesulfonamide
PubChem CID39824744
Molecular FormulaC14H11Cl2F2NO3S
Molecular Weight382.22 g/mol
Exact Mass380.98
IUPAC Name3-chloro-N-(2-chloro-4-methylphenyl)-4-(difluoromethoxy)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C14H11Cl2F2NO3S/c1-8-2-4-12(10(15)6-8)19-23(20,21)9-3-5-13(11(16)7-9)22-14(17)18/h2-7,14,19H,1H3
InChIKeyCXGOTMLYMABBRH-UHFFFAOYSA-N
XLogP4.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.22
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]thiophene-2-carboxylate
CID 39828527
3-chloro-4-(difluoromethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62662823
2,4,5-trichloro-N-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide
CID 19684098
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 28967482
3-chloro-N-(2-chloro-4-methylphenyl)-4-cyanobenzenesulfonamide
CID 115588624
N-[2-(difluoromethoxy)-5-methylphenyl]-4-ethylbenzenesulfonamide
CID 19684057
4-amino-3-bromo-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 62058562
N-(2-chloro-4-methylphenyl)-4-ethoxybenzenesulfonamide
CID 7514268
3-chloro-4-(difluoromethoxy)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65113256
3-chloro-N-(4-cyano-1,5-dimethylpyrazol-3-yl)-4-(difluoromethoxy)benzenesulfonamide
CID 167957192
1-(4-bromo-2-chlorophenyl)-3-[2-(difluoromethoxy)-4-methylphenyl]urea
CID 1296841
3-chloro-4-(difluoromethoxy)-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65034786

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chloro-4-methylphenyl)-4-(difluoromethoxy)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-chloro-4-methylphenyl)-4-(difluoromethoxy)benzenesulfonamide (CID 39824744) is 3-chloro-N-(2-chloro-4-methylphenyl)-4-(difluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-chloro-4-methylphenyl)-4-(difluoromethoxy)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-chloro-4-methylphenyl)-4-(difluoromethoxy)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-chloro-4-methylphenyl)-4-(difluoromethoxy)benzenesulfonamide?
The InChIKey is CXGOTMLYMABBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F2NO3S/c1-8-2-4-12(10(15)6-8)19-23(20,21)9-3-5-13(11(16)7-9)22-14(17)18/h2-7,14,19H,1H3.
What are the key properties of 3-chloro-N-(2-chloro-4-methylphenyl)-4-(difluoromethoxy)benzenesulfonamide?
3-chloro-N-(2-chloro-4-methylphenyl)-4-(difluoromethoxy)benzenesulfonamide has a molecular weight of 382.22 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-chloro-4-methylphenyl)-4-(difluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 39824744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).