2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzamide

C15H16N2O4S — CID 36591620

IUPAC2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)cccc2C(N)=O)cc1
InChIInChI=1S/C15H16N2O4S/c1-10-4-3-5-13(15(16)18)14(10)17-22(19,20)12-8-6-11(21-2)7-9-12/h3-9,17H,1-2H3,(H2,16,18)
InChIKeyACGDVYYSEWJWGU-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.90
Rot. Bonds5

About 2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzamide

2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzamide (PubChem CID 36591620) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzamide
PubChem CID36591620
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)cccc2C(N)=O)cc1
InChIInChI=1S/C15H16N2O4S/c1-10-4-3-5-13(15(16)18)14(10)17-22(19,20)12-8-6-11(21-2)7-9-12/h3-9,17H,1-2H3,(H2,16,18)
InChIKeyACGDVYYSEWJWGU-UHFFFAOYSA-N
XLogP1.90
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(4-fluorophenyl)sulfonylamino]-3-methylbenzoate
CID 22633909
2-[(4-methoxycarbonylphenyl)sulfonylamino]-3-methylbenzoic acid
CID 43069593
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)acetamide
CID 1334816
N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 4934132
3-methyl-2-[(4-methylsulfonylphenyl)sulfonylamino]benzoic acid
CID 43069587
methyl 5-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate
CID 54295788
N-[6-(2,6-dimethylanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 113017219
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
3-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 36591659
2-[(4-methoxyphenyl)sulfonylamino]-5-(trifluoromethyl)benzamide
CID 175931825
1-(4-methoxyphenyl)-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]urea
CID 1405682
methyl 4-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzoate
CID 43069472

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzamide?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzamide (CID 36591620) is 2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzamide?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzamide is COc1ccc(S(=O)(=O)Nc2c(C)cccc2C(N)=O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzamide?
The InChIKey is ACGDVYYSEWJWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-10-4-3-5-13(15(16)18)14(10)17-22(19,20)12-8-6-11(21-2)7-9-12/h3-9,17H,1-2H3,(H2,16,18).
What are the key properties of 2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzamide?
2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzamide has a molecular weight of 320.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzamide is sourced from PubChem (CID 36591620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).