3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide

C17H19N3O5S — CID 43016473

IUPAC3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
SMILESCc1ccc(O)c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1
InChIInChI=1S/C17H19N3O5S/c1-11-7-8-15(21)14(9-11)17(23)19-18-16(22)12-5-4-6-13(10-12)26(24,25)20(2)3/h4-10,21H,1-3H3,(H,18,22)(H,19,23)
InChIKeyZYQLZJXUJSYYRU-UHFFFAOYSA-N
MW377.42 g/mol
LogP1.03
Rot. Bonds4

About 3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide

3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 43016473) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is 3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
PubChem CID43016473
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
SMILESCc1ccc(O)c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1
InChIInChI=1S/C17H19N3O5S/c1-11-7-8-15(21)14(9-11)17(23)19-18-16(22)12-5-4-6-13(10-12)26(24,25)20(2)3/h4-10,21H,1-3H3,(H,18,22)(H,19,23)
InChIKeyZYQLZJXUJSYYRU-UHFFFAOYSA-N
XLogP1.03
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 27689934
N,N-dimethyl-3-[[(6-methyl-1H-indole-2-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 55560204
N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide
CID 9359863
3-[[(3-methoxybenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 9473161
N,N-dimethyl-3-[[(5-methylthiophene-2-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 17463497
N,N-dimethyl-3-[[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]amino]carbamoyl]benzenesulfonamide
CID 24536143
3-[(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 9473259
1-tert-butyl-3-[[3-(dimethylsulfamoyl)benzoyl]amino]thiourea
CID 9425452
3-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 8923186
N-[2-[2-(2-hydroxy-5-methylbenzoyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 27681289
N,N-dimethyl-3-[(3-methylsulfanylpropanoylamino)carbamoyl]benzenesulfonamide
CID 24639201
3-(dimethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 4800647

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide (CID 43016473) is 3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide is Cc1ccc(O)c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1.
What is the InChIKey of 3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is ZYQLZJXUJSYYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-11-7-8-15(21)14(9-11)17(23)19-18-16(22)12-5-4-6-13(10-12)26(24,25)20(2)3/h4-10,21H,1-3H3,(H,18,22)(H,19,23).
What are the key properties of 3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide?
3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 377.42 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 43016473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).