2-chloro-4-methyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide

C14H11ClF3NO3S — CID 32676606

IUPAC2-chloro-4-methyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2OC(F)(F)F)c(Cl)c1
InChIInChI=1S/C14H11ClF3NO3S/c1-9-6-7-13(10(15)8-9)23(20,21)19-11-4-2-3-5-12(11)22-14(16,17)18/h2-8,19H,1H3
InChIKeyYATFVHGRKRRVGZ-UHFFFAOYSA-N
MW365.76 g/mol
LogP4.35
Rot. Bonds4

About 2-chloro-4-methyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide

2-chloro-4-methyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide (PubChem CID 32676606) has the molecular formula C14H11ClF3NO3S and a molecular weight of 365.76 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
PubChem CID32676606
Molecular FormulaC14H11ClF3NO3S
Molecular Weight365.76 g/mol
Exact Mass365.01
IUPAC Name2-chloro-4-methyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2OC(F)(F)F)c(Cl)c1
InChIInChI=1S/C14H11ClF3NO3S/c1-9-6-7-13(10(15)8-9)23(20,21)19-11-4-2-3-5-12(11)22-14(16,17)18/h2-8,19H,1H3
InChIKeyYATFVHGRKRRVGZ-UHFFFAOYSA-N
XLogP4.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.76
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 31071215
2-chloro-N-[2-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide
CID 39837795
2,4-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 3851198
3,4-dichloro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 3460603
8-chloro-N-[2-(trifluoromethoxy)phenyl]naphthalene-1-sulfonamide
CID 3788061
2,5-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 27301700
2-chloro-N-(2-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 32673947
N-(4-fluoro-2-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 18148145
4-bromo-2-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 26979434
4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide
CID 28829084
2-chloro-N-(2,6-difluoro-3-pyridinyl)-4-methylbenzenesulfonamide
CID 103098259
4-bromo-N-(2-tert-butylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 3861912

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide?
The IUPAC name of 2-chloro-4-methyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide (CID 32676606) is 2-chloro-4-methyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-methyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-4-methyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2OC(F)(F)F)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide?
The InChIKey is YATFVHGRKRRVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO3S/c1-9-6-7-13(10(15)8-9)23(20,21)19-11-4-2-3-5-12(11)22-14(16,17)18/h2-8,19H,1H3.
What are the key properties of 2-chloro-4-methyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide?
2-chloro-4-methyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide has a molecular weight of 365.76 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 32676606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).