4-methoxy-N-(3,4,5-trifluorophenyl)benzenesulfonamide

C13H10F3NO3S — CID 3876115

IUPAC4-methoxy-N-(3,4,5-trifluorophenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(F)c(F)c(F)c2)cc1
InChIInChI=1S/C13H10F3NO3S/c1-20-9-2-4-10(5-3-9)21(18,19)17-8-6-11(14)13(16)12(15)7-8/h2-7,17H,1H3
InChIKeyUQJMWWHQUIZGCR-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.91
Rot. Bonds4

About 4-methoxy-N-(3,4,5-trifluorophenyl)benzenesulfonamide

4-methoxy-N-(3,4,5-trifluorophenyl)benzenesulfonamide (PubChem CID 3876115) has the molecular formula C13H10F3NO3S and a molecular weight of 317.29 g/mol. Its IUPAC name is 4-methoxy-N-(3,4,5-trifluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(3,4,5-trifluorophenyl)benzenesulfonamide
PubChem CID3876115
Molecular FormulaC13H10F3NO3S
Molecular Weight317.29 g/mol
Exact Mass317.03
IUPAC Name4-methoxy-N-(3,4,5-trifluorophenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(F)c(F)c(F)c2)cc1
InChIInChI=1S/C13H10F3NO3S/c1-20-9-2-4-10(5-3-9)21(18,19)17-8-6-11(14)13(16)12(15)7-8/h2-7,17H,1H3
InChIKeyUQJMWWHQUIZGCR-UHFFFAOYSA-N
XLogP2.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
3,4-difluoro-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 22465707
N-[3-fluoro-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 169371317
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
2,3,4,5-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 15485024
N-[4-(2,6-difluoroanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112990245
N-[2-fluoro-5-[(4-methoxyphenyl)sulfonylamino]phenyl]acetamide
CID 46603660
4-(bromomethyl)-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 65482623
N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 103775697
4-methoxy-N-(3-methoxy-5-nitrophenyl)benzenesulfonamide
CID 841402
4-methoxy-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 836468

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3,4,5-trifluorophenyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(3,4,5-trifluorophenyl)benzenesulfonamide (CID 3876115) is 4-methoxy-N-(3,4,5-trifluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(3,4,5-trifluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(3,4,5-trifluorophenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(F)c(F)c(F)c2)cc1.
What is the InChIKey of 4-methoxy-N-(3,4,5-trifluorophenyl)benzenesulfonamide?
The InChIKey is UQJMWWHQUIZGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO3S/c1-20-9-2-4-10(5-3-9)21(18,19)17-8-6-11(14)13(16)12(15)7-8/h2-7,17H,1H3.
What are the key properties of 4-methoxy-N-(3,4,5-trifluorophenyl)benzenesulfonamide?
4-methoxy-N-(3,4,5-trifluorophenyl)benzenesulfonamide has a molecular weight of 317.29 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3,4,5-trifluorophenyl)benzenesulfonamide is sourced from PubChem (CID 3876115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).