N-[5-chloro-2-(trifluoromethoxy)phenyl]-4-methylbenzenesulfonamide

C14H11ClF3NO3S — CID 169373372

IUPACN-[5-chloro-2-(trifluoromethoxy)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC(F)(F)F)cc1
InChIInChI=1S/C14H11ClF3NO3S/c1-9-2-5-11(6-3-9)23(20,21)19-12-8-10(15)4-7-13(12)22-14(16,17)18/h2-8,19H,1H3
InChIKeyCBDHHECNALHUBE-UHFFFAOYSA-N
MW365.76 g/mol
LogP4.35
Rot. Bonds4

About N-[5-chloro-2-(trifluoromethoxy)phenyl]-4-methylbenzenesulfonamide

N-[5-chloro-2-(trifluoromethoxy)phenyl]-4-methylbenzenesulfonamide (PubChem CID 169373372) has the molecular formula C14H11ClF3NO3S and a molecular weight of 365.76 g/mol. Its IUPAC name is N-[5-chloro-2-(trifluoromethoxy)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-(trifluoromethoxy)phenyl]-4-methylbenzenesulfonamide
PubChem CID169373372
Molecular FormulaC14H11ClF3NO3S
Molecular Weight365.76 g/mol
Exact Mass365.01
IUPAC NameN-[5-chloro-2-(trifluoromethoxy)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC(F)(F)F)cc1
InChIInChI=1S/C14H11ClF3NO3S/c1-9-2-5-11(6-3-9)23(20,21)19-12-8-10(15)4-7-13(12)22-14(16,17)18/h2-8,19H,1H3
InChIKeyCBDHHECNALHUBE-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

N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-methylbenzenesulfonamide
CID 169370059
N-[4-iodo-2-(trifluoromethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169370005
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 3761633
N-[4-chloro-2-(trifluoromethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 162366531
4-chloro-2-[(4-methylphenyl)sulfonylamino]benzoyl chloride
CID 12750523
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 7354133
N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide
CID 2796859
N-[4-chloro-2-(chloromethyl)phenyl]-4-methylbenzenesulfonamide
CID 163288986
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
3,4-dichloro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 3460603
2-chloro-4-methyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 32676606
N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide
CID 24656665

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(trifluoromethoxy)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[5-chloro-2-(trifluoromethoxy)phenyl]-4-methylbenzenesulfonamide (CID 169373372) is N-[5-chloro-2-(trifluoromethoxy)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-chloro-2-(trifluoromethoxy)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[5-chloro-2-(trifluoromethoxy)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC(F)(F)F)cc1.
What is the InChIKey of N-[5-chloro-2-(trifluoromethoxy)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is CBDHHECNALHUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO3S/c1-9-2-5-11(6-3-9)23(20,21)19-12-8-10(15)4-7-13(12)22-14(16,17)18/h2-8,19H,1H3.
What are the key properties of N-[5-chloro-2-(trifluoromethoxy)phenyl]-4-methylbenzenesulfonamide?
N-[5-chloro-2-(trifluoromethoxy)phenyl]-4-methylbenzenesulfonamide 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 N-[5-chloro-2-(trifluoromethoxy)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169373372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).