3-chloro-4-fluoro-N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide

C16H12ClFN2O4S — CID 11740653

IUPAC3-chloro-4-fluoro-N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c(-c2ncco2)c1
InChIInChI=1S/C16H12ClFN2O4S/c1-23-10-2-5-15(12(8-10)16-19-6-7-24-16)20-25(21,22)11-3-4-14(18)13(17)9-11/h2-9,20H,1H3
InChIKeyJSABWNPJINPCSR-UHFFFAOYSA-N
MW382.80 g/mol
LogP3.94
Rot. Bonds5

About 3-chloro-4-fluoro-N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide

3-chloro-4-fluoro-N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide (PubChem CID 11740653) has the molecular formula C16H12ClFN2O4S and a molecular weight of 382.80 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
PubChem CID11740653
Molecular FormulaC16H12ClFN2O4S
Molecular Weight382.80 g/mol
Exact Mass382.02
IUPAC Name3-chloro-4-fluoro-N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c(-c2ncco2)c1
InChIInChI=1S/C16H12ClFN2O4S/c1-23-10-2-5-15(12(8-10)16-19-6-7-24-16)20-25(21,22)11-3-4-14(18)13(17)9-11/h2-9,20H,1H3
InChIKeyJSABWNPJINPCSR-UHFFFAOYSA-N
XLogP3.94
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.80
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-propan-2-ylbenzenesulfonamide
CID 10067886
4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide
CID 4994976
3-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 5089325
3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide
CID 889995
3,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide
CID 102695953
4-bromo-N-(2-chloro-5-methoxyphenyl)-3-fluorobenzenesulfonamide
CID 103710408
3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 25039269
N-(5-chloro-4-fluoro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 82721249
methyl 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 8603632
N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 4995778
N-(4-chloro-2-iodophenyl)-4-methoxybenzenesulfonamide
CID 103764001
N-(5-chloro-2-methoxyphenyl)-6-methoxynaphthalene-2-sulfonamide
CID 100666504

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide (CID 11740653) is 3-chloro-4-fluoro-N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c(-c2ncco2)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
The InChIKey is JSABWNPJINPCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O4S/c1-23-10-2-5-15(12(8-10)16-19-6-7-24-16)20-25(21,22)11-3-4-14(18)13(17)9-11/h2-9,20H,1H3.
What are the key properties of 3-chloro-4-fluoro-N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
3-chloro-4-fluoro-N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide has a molecular weight of 382.80 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 11740653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).