N-(2-chloro-4-fluorophenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide

C16H12ClFN2O4S — CID 53094934

IUPACN-(2-chloro-4-fluorophenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
SMILESCOc1cc(-c2ccno2)ccc1S(=O)(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C16H12ClFN2O4S/c1-23-15-8-10(14-6-7-19-24-14)2-5-16(15)25(21,22)20-13-4-3-11(18)9-12(13)17/h2-9,20H,1H3
InChIKeyQDHJAEGFYHVKCJ-UHFFFAOYSA-N
MW382.80 g/mol
LogP3.94
Rot. Bonds5

About N-(2-chloro-4-fluorophenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide

N-(2-chloro-4-fluorophenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 53094934) has the molecular formula C16H12ClFN2O4S and a molecular weight of 382.80 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID53094934
Molecular FormulaC16H12ClFN2O4S
Molecular Weight382.80 g/mol
Exact Mass382.02
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
SMILESCOc1cc(-c2ccno2)ccc1S(=O)(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C16H12ClFN2O4S/c1-23-15-8-10(14-6-7-19-24-14)2-5-16(15)25(21,22)20-13-4-3-11(18)9-12(13)17/h2-9,20H,1H3
InChIKeyQDHJAEGFYHVKCJ-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-(5-chloro-2,4-dimethoxyphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094864
N-(2-chloro-4,6-dimethoxyphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094946
2-methoxy-N-(2-methylphenyl)-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094896
N-(4-ethylphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094876
N-[(2-chlorophenyl)methyl]-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094862
2-methoxy-N-[(2-methoxyphenyl)methyl]-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094918
N-cyclooctyl-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094869
N-(3-chloro-2-methylphenyl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53094799
N-(4-bromo-2-fluorophenyl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53094791
N-(2-methoxyphenyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 51048851
N-(4-fluoro-2-methylphenyl)-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20935107
N-(4-chloro-2-methoxy-5-methylphenyl)-2,4-difluorobenzenesulfonamide
CID 8523503

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide (CID 53094934) is N-(2-chloro-4-fluorophenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide is COc1cc(-c2ccno2)ccc1S(=O)(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is QDHJAEGFYHVKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O4S/c1-23-15-8-10(14-6-7-19-24-14)2-5-16(15)25(21,22)20-13-4-3-11(18)9-12(13)17/h2-9,20H,1H3.
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide?
N-(2-chloro-4-fluorophenyl)-2-methoxy-4-(1,2-oxazol-5-yl)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 N-(2-chloro-4-fluorophenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 53094934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).