3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N,4-dimethylbenzenesulfonamide

C16H17N3O5S — CID 35804401

IUPAC3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N,4-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)c2ccccc2O)c1
InChIInChI=1S/C16H17N3O5S/c1-10-7-8-11(25(23,24)17-2)9-13(10)16(22)19-18-15(21)12-5-3-4-6-14(12)20/h3-9,17,20H,1-2H3,(H,18,21)(H,19,22)
InChIKeyNYAQFDQMYGFTPA-UHFFFAOYSA-N
MW363.40 g/mol
LogP0.68
Rot. Bonds4

About 3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N,4-dimethylbenzenesulfonamide

3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N,4-dimethylbenzenesulfonamide (PubChem CID 35804401) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is 3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N,4-dimethylbenzenesulfonamide
PubChem CID35804401
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N,4-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)c2ccccc2O)c1
InChIInChI=1S/C16H17N3O5S/c1-10-7-8-11(25(23,24)17-2)9-13(10)16(22)19-18-15(21)12-5-3-4-6-14(12)20/h3-9,17,20H,1-2H3,(H,18,21)(H,19,22)
InChIKeyNYAQFDQMYGFTPA-UHFFFAOYSA-N
XLogP0.68
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[1-(2-methylphenyl)ethyl]-5-(methylsulfamoyl)benzamide
CID 43037445
2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 51297733
2-hydroxy-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 766765
3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 55645981
N-butan-2-yl-2-methyl-5-(methylsulfamoyl)benzamide
CID 42940283
N-(2,4-dimethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297738
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 51928644
2-methyl-N-[(2R)-5-methylhexan-2-yl]-5-(methylsulfamoyl)benzamide
CID 30804825
N-(3-chloro-2-methylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297779
3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 43002494
2-hydroxy-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 61129726
N-(4-ethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297821

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of 3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N,4-dimethylbenzenesulfonamide (CID 35804401) is 3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N,4-dimethylbenzenesulfonamide is CNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)c2ccccc2O)c1.
What is the InChIKey of 3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is NYAQFDQMYGFTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-10-7-8-11(25(23,24)17-2)9-13(10)16(22)19-18-15(21)12-5-3-4-6-14(12)20/h3-9,17,20H,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N,4-dimethylbenzenesulfonamide?
3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N,4-dimethylbenzenesulfonamide has a molecular weight of 363.40 g/mol, XLogP of 0.68, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 35804401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).