N-(2-chloro-4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

C14H10ClFN2O4S — CID 30713207

IUPACN-(2-chloro-4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(F)cc3Cl)ccc21
InChIInChI=1S/C14H10ClFN2O4S/c1-18-12-5-3-9(7-13(12)22-14(18)19)23(20,21)17-11-4-2-8(16)6-10(11)15/h2-7,17H,1H3
InChIKeyBOIYDXASQJXQKS-UHFFFAOYSA-N
MW356.76 g/mol
LogP2.72
Rot. Bonds3

About N-(2-chloro-4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

N-(2-chloro-4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 30713207) has the molecular formula C14H10ClFN2O4S and a molecular weight of 356.76 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID30713207
Molecular FormulaC14H10ClFN2O4S
Molecular Weight356.76 g/mol
Exact Mass356.00
IUPAC NameN-(2-chloro-4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(F)cc3Cl)ccc21
InChIInChI=1S/C14H10ClFN2O4S/c1-18-12-5-3-9(7-13(12)22-14(18)19)23(20,21)17-11-4-2-8(16)6-10(11)15/h2-7,17H,1H3
InChIKeyBOIYDXASQJXQKS-UHFFFAOYSA-N
XLogP2.72
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.76
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-oxo-N-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-6-sulfonamide
CID 55559647
N-(4-chloro-3-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 70124119
3,4-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969900
3-methyl-2-oxo-N-(2-oxo-1H-pyridin-3-yl)-1,3-benzoxazole-6-sulfonamide
CID 110727203
N-[1-(2,4-difluorophenyl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 55558604
N-[3-[(3-chlorophenyl)sulfamoyl]phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713122
3-methyl-2-oxo-N-(1H-pyrazol-5-yl)-1,3-benzoxazole-6-sulfonamide
CID 61394264
4-fluoro-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzohydrazide
CID 55558560
N-(5-ethyl-2-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110424716
N-(4-tert-butylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713117
3-methyl-2-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-sulfonamide
CID 666515
N-[2-(4-ethoxyphenoxy)phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713533

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 30713207) is N-(2-chloro-4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(F)cc3Cl)ccc21.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is BOIYDXASQJXQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O4S/c1-18-12-5-3-9(7-13(12)22-14(18)19)23(20,21)17-11-4-2-8(16)6-10(11)15/h2-7,17H,1H3.
What are the key properties of N-(2-chloro-4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
N-(2-chloro-4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 356.76 g/mol, XLogP of 2.72, 3 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)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 30713207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).