8-chloro-N-[2-(trifluoromethoxy)phenyl]naphthalene-1-sulfonamide

C17H11ClF3NO3S — CID 3788061

IUPAC8-chloro-N-[2-(trifluoromethoxy)phenyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1ccccc1OC(F)(F)F)c1cccc2cccc(Cl)c12
InChIInChI=1S/C17H11ClF3NO3S/c18-12-7-3-5-11-6-4-10-15(16(11)12)26(23,24)22-13-8-1-2-9-14(13)25-17(19,20)21/h1-10,22H
InChIKeyXLRGMQSNHWYYJK-UHFFFAOYSA-N
MW401.79 g/mol
LogP5.19
Rot. Bonds4

About 8-chloro-N-[2-(trifluoromethoxy)phenyl]naphthalene-1-sulfonamide

8-chloro-N-[2-(trifluoromethoxy)phenyl]naphthalene-1-sulfonamide (PubChem CID 3788061) has the molecular formula C17H11ClF3NO3S and a molecular weight of 401.79 g/mol. Its IUPAC name is 8-chloro-N-[2-(trifluoromethoxy)phenyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name8-chloro-N-[2-(trifluoromethoxy)phenyl]naphthalene-1-sulfonamide
PubChem CID3788061
Molecular FormulaC17H11ClF3NO3S
Molecular Weight401.79 g/mol
Exact Mass401.01
IUPAC Name8-chloro-N-[2-(trifluoromethoxy)phenyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1ccccc1OC(F)(F)F)c1cccc2cccc(Cl)c12
InChIInChI=1S/C17H11ClF3NO3S/c18-12-7-3-5-11-6-4-10-15(16(11)12)26(23,24)22-13-8-1-2-9-14(13)25-17(19,20)21/h1-10,22H
InChIKeyXLRGMQSNHWYYJK-UHFFFAOYSA-N
XLogP5.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.79
LogP ≤ 55.19
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-4-methyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 32676606
3,4-dichloro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 3460603
2,4-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 3851198
8-chloro-N-[4-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
CID 3709253
2,5-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 27301700
N-(2-chloro-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 71943479
N-(2-propoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31069220
N-[5-chloro-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
CID 67970240
8-chloro-N-pyridin-2-ylnaphthalene-1-sulfonamide
CID 3810068
N-(4-fluoro-2-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 18148145
N-(3-tert-butyl-2-fluoro-4-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 169074985

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[2-(trifluoromethoxy)phenyl]naphthalene-1-sulfonamide?
The IUPAC name of 8-chloro-N-[2-(trifluoromethoxy)phenyl]naphthalene-1-sulfonamide (CID 3788061) is 8-chloro-N-[2-(trifluoromethoxy)phenyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 8-chloro-N-[2-(trifluoromethoxy)phenyl]naphthalene-1-sulfonamide?
The canonical SMILES for 8-chloro-N-[2-(trifluoromethoxy)phenyl]naphthalene-1-sulfonamide is O=S(=O)(Nc1ccccc1OC(F)(F)F)c1cccc2cccc(Cl)c12.
What is the InChIKey of 8-chloro-N-[2-(trifluoromethoxy)phenyl]naphthalene-1-sulfonamide?
The InChIKey is XLRGMQSNHWYYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3NO3S/c18-12-7-3-5-11-6-4-10-15(16(11)12)26(23,24)22-13-8-1-2-9-14(13)25-17(19,20)21/h1-10,22H.
What are the key properties of 8-chloro-N-[2-(trifluoromethoxy)phenyl]naphthalene-1-sulfonamide?
8-chloro-N-[2-(trifluoromethoxy)phenyl]naphthalene-1-sulfonamide has a molecular weight of 401.79 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[2-(trifluoromethoxy)phenyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 3788061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).