3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-chloro-4-methylphenyl)propanamide

C16H15ClN4O4S — CID 15997562

IUPAC3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-chloro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCNS(=O)(=O)c2cccc3nonc23)c(Cl)c1
InChIInChI=1S/C16H15ClN4O4S/c1-10-5-6-12(11(17)9-10)19-15(22)7-8-18-26(23,24)14-4-2-3-13-16(14)21-25-20-13/h2-6,9,18H,7-8H2,1H3,(H,19,22)
InChIKeyJHOVGTBIMUMHKM-UHFFFAOYSA-N
MW394.84 g/mol
LogP2.49
Rot. Bonds6

About 3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-chloro-4-methylphenyl)propanamide

3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-chloro-4-methylphenyl)propanamide (PubChem CID 15997562) has the molecular formula C16H15ClN4O4S and a molecular weight of 394.84 g/mol. Its IUPAC name is 3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-chloro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-chloro-4-methylphenyl)propanamide
PubChem CID15997562
Molecular FormulaC16H15ClN4O4S
Molecular Weight394.84 g/mol
Exact Mass394.05
IUPAC Name3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-chloro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCNS(=O)(=O)c2cccc3nonc23)c(Cl)c1
InChIInChI=1S/C16H15ClN4O4S/c1-10-5-6-12(11(17)9-10)19-15(22)7-8-18-26(23,24)14-4-2-3-13-16(14)21-25-20-13/h2-6,9,18H,7-8H2,1H3,(H,19,22)
InChIKeyJHOVGTBIMUMHKM-UHFFFAOYSA-N
XLogP2.49
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.84
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2,4-dimethoxyphenyl)propanamide
CID 4243804
3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-fluorophenyl)propanamide
CID 46504550
3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(4-bromophenyl)propanamide
CID 4249631
3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 3236426
N-(4-acetylphenyl)-3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)propanamide
CID 3239240
dimethyl 5-[3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)propanoylamino]benzene-1,3-dicarboxylate
CID 4243798
3-[(2-chloro-5-fluorophenyl)sulfonylamino]-N-(2-chloro-4-methylphenyl)propanamide
CID 86888312
N-(2-chloro-4-methylphenyl)-3-[(2-methyl-4-nitrophenyl)sulfonylamino]propanamide
CID 86884405
N-(2-chloro-4-methylphenyl)-3-[(4,5-dimethyl-2-nitrophenyl)sulfonylamino]propanamide
CID 86884394
4-(2,1,3-benzoxadiazol-4-ylsulfonylamino)butanoate
CID 4105183
1-[3-[(2,1,3-benzoxadiazol-4-ylsulfonylamino)methyl]phenyl]-3-(3-methylphenyl)urea
CID 166321272
3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-chloro-4-methylphenyl)propanamide
CID 86884406

Frequently Asked Questions

What is the IUPAC name of 3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-chloro-4-methylphenyl)propanamide?
The IUPAC name of 3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-chloro-4-methylphenyl)propanamide (CID 15997562) is 3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-chloro-4-methylphenyl)propanamide.
What is the SMILES notation for 3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-chloro-4-methylphenyl)propanamide?
The canonical SMILES for 3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-chloro-4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCNS(=O)(=O)c2cccc3nonc23)c(Cl)c1.
What is the InChIKey of 3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-chloro-4-methylphenyl)propanamide?
The InChIKey is JHOVGTBIMUMHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O4S/c1-10-5-6-12(11(17)9-10)19-15(22)7-8-18-26(23,24)14-4-2-3-13-16(14)21-25-20-13/h2-6,9,18H,7-8H2,1H3,(H,19,22).
What are the key properties of 3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-chloro-4-methylphenyl)propanamide?
3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-chloro-4-methylphenyl)propanamide has a molecular weight of 394.84 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-chloro-4-methylphenyl)propanamide is sourced from PubChem (CID 15997562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).