N-[4-chloro-2-(trifluoromethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide

C15H7ClF9NO3S — CID 162366531

IUPACN-[4-chloro-2-(trifluoromethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1OC(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H7ClF9NO3S/c16-9-1-2-11(12(6-9)29-15(23,24)25)26-30(27,28)10-4-7(13(17,18)19)3-8(5-10)14(20,21)22/h1-6,26H
InChIKeySGOMQDZRQJCYDG-UHFFFAOYSA-N
MW487.73 g/mol
LogP6.08
Rot. Bonds4

About N-[4-chloro-2-(trifluoromethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide

N-[4-chloro-2-(trifluoromethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide (PubChem CID 162366531) has the molecular formula C15H7ClF9NO3S and a molecular weight of 487.73 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
PubChem CID162366531
Molecular FormulaC15H7ClF9NO3S
Molecular Weight487.73 g/mol
Exact Mass486.97
IUPAC NameN-[4-chloro-2-(trifluoromethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1OC(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H7ClF9NO3S/c16-9-1-2-11(12(6-9)29-15(23,24)25)26-30(27,28)10-4-7(13(17,18)19)3-8(5-10)14(20,21)22/h1-6,26H
InChIKeySGOMQDZRQJCYDG-UHFFFAOYSA-N
XLogP6.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.73
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-chloro-2-(trifluoromethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169373372
N-(2-fluorophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 51557585
3,5-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 5005138
3,4-dichloro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 3460603
N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dichlorobenzenesulfonamide
CID 25022575
N-(4,5-dimethoxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 26949766
N-[4-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2-chlorophenyl]acetamide
CID 3781466
3-bromo-N-(2-chloro-4-iodophenyl)-5-(trifluoromethyl)benzenesulfonamide
CID 98043421
N-(4-chloro-2-fluorophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 60585547
N-(2-formylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 46918837
N-[4-iodo-2-(trifluoromethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169370005
4-chloro-2-(trifluoromethoxy)phenol
CID 58046341

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide (CID 162366531) is N-[4-chloro-2-(trifluoromethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccc(Cl)cc1OC(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
The InChIKey is SGOMQDZRQJCYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF9NO3S/c16-9-1-2-11(12(6-9)29-15(23,24)25)26-30(27,28)10-4-7(13(17,18)19)3-8(5-10)14(20,21)22/h1-6,26H.
What are the key properties of N-[4-chloro-2-(trifluoromethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
N-[4-chloro-2-(trifluoromethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide has a molecular weight of 487.73 g/mol, XLogP of 6.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 162366531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).