N-methyl-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzamide

C15H13N3O5S — CID 134055659

IUPACN-methyl-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzamide
SMILESCNC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1
InChIInChI=1S/C15H13N3O5S/c1-16-14(19)9-2-4-10(5-3-9)18-24(21,22)11-6-7-12-13(8-11)23-15(20)17-12/h2-8,18H,1H3,(H,16,19)(H,17,20)
InChIKeyJOGWGOMLNICNFZ-UHFFFAOYSA-N
MW347.35 g/mol
LogP1.28
Rot. Bonds4

About N-methyl-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzamide

N-methyl-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzamide (PubChem CID 134055659) has the molecular formula C15H13N3O5S and a molecular weight of 347.35 g/mol. Its IUPAC name is N-methyl-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzamide
PubChem CID134055659
Molecular FormulaC15H13N3O5S
Molecular Weight347.35 g/mol
Exact Mass347.06
IUPAC NameN-methyl-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzamide
SMILESCNC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1
InChIInChI=1S/C15H13N3O5S/c1-16-14(19)9-2-4-10(5-3-9)18-24(21,22)11-6-7-12-13(8-11)23-15(20)17-12/h2-8,18H,1H3,(H,16,19)(H,17,20)
InChIKeyJOGWGOMLNICNFZ-UHFFFAOYSA-N
XLogP1.28
TPSA121.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82104270
4-[(3,4-difluorophenyl)sulfonylamino]-N-methylbenzamide
CID 25335198
N-cyclopropyl-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzamide
CID 46680383
N-(3-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 24686498
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110288193
N-(5-chloro-2-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110778576
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 92648168
2-oxo-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)-3H-1,3-benzoxazole-6-sulfonamide
CID 110406150
3-chloro-4-methoxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110350533
N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 166184466
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 25326023
N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 39919060

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzamide?
The IUPAC name of N-methyl-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzamide (CID 134055659) is N-methyl-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzamide.
What is the SMILES notation for N-methyl-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzamide?
The canonical SMILES for N-methyl-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzamide is CNC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1.
What is the InChIKey of N-methyl-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzamide?
The InChIKey is JOGWGOMLNICNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O5S/c1-16-14(19)9-2-4-10(5-3-9)18-24(21,22)11-6-7-12-13(8-11)23-15(20)17-12/h2-8,18H,1H3,(H,16,19)(H,17,20).
What are the key properties of N-methyl-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzamide?
N-methyl-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzamide has a molecular weight of 347.35 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzamide is sourced from PubChem (CID 134055659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).