[4-[(4-chlorobenzoyl)amino]phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide

C18H15ClN3O4S- — CID 4747510

IUPAC[4-[(4-chlorobenzoyl)amino]phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide
SMILESCc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1C
InChIInChI=1S/C18H16ClN3O4S/c1-11-12(2)21-26-18(11)22-27(24,25)16-9-7-15(8-10-16)20-17(23)13-3-5-14(19)6-4-13/h3-10H,1-2H3,(H2,20,21,22,23)/p-1
InChIKeyIZRMXAJZJIKCKQ-UHFFFAOYSA-M
MW404.86 g/mol
LogP4.59
Rot. Bonds5

About [4-[(4-chlorobenzoyl)amino]phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide

[4-[(4-chlorobenzoyl)amino]phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide (PubChem CID 4747510) has the molecular formula C18H15ClN3O4S- and a molecular weight of 404.86 g/mol. Its IUPAC name is [4-[(4-chlorobenzoyl)amino]phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide.

Molecular Properties

Compound Name[4-[(4-chlorobenzoyl)amino]phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide
PubChem CID4747510
Molecular FormulaC18H15ClN3O4S-
Molecular Weight404.86 g/mol
Exact Mass404.05
IUPAC Name[4-[(4-chlorobenzoyl)amino]phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide
SMILESCc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1C
InChIInChI=1S/C18H16ClN3O4S/c1-11-12(2)21-26-18(11)22-27(24,25)16-9-7-15(8-10-16)20-17(23)13-3-5-14(19)6-4-13/h3-10H,1-2H3,(H2,20,21,22,23)/p-1
InChIKeyIZRMXAJZJIKCKQ-UHFFFAOYSA-M
XLogP4.59
TPSA103.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.86
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-cyclohexylpropanoylamino)phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide
CID 2059807
potassium (4-aminophenyl)sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide
CID 177463125
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2225142
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzamide
CID 92643113
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-phenylbenzamide
CID 1107623
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-ethylbenzamide
CID 19225858
4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 4924513
4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 2725735
[4-[(4-methylbenzoyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
CID 4747642

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorobenzoyl)amino]phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide?
The IUPAC name of [4-[(4-chlorobenzoyl)amino]phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide (CID 4747510) is [4-[(4-chlorobenzoyl)amino]phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide.
What is the SMILES notation for [4-[(4-chlorobenzoyl)amino]phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide?
The canonical SMILES for [4-[(4-chlorobenzoyl)amino]phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide is Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1C.
What is the InChIKey of [4-[(4-chlorobenzoyl)amino]phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide?
The InChIKey is IZRMXAJZJIKCKQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H16ClN3O4S/c1-11-12(2)21-26-18(11)22-27(24,25)16-9-7-15(8-10-16)20-17(23)13-3-5-14(19)6-4-13/h3-10H,1-2H3,(H2,20,21,22,23)/p-1.
What are the key properties of [4-[(4-chlorobenzoyl)amino]phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide?
[4-[(4-chlorobenzoyl)amino]phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide has a molecular weight of 404.86 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorobenzoyl)amino]phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide is sourced from PubChem (CID 4747510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).