N-(2-aminophenyl)-4-(pyridin-3-ylsulfonylamino)benzamide

C18H16N4O3S — CID 139811841

IUPACN-(2-aminophenyl)-4-(pyridin-3-ylsulfonylamino)benzamide
SMILESNc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2cccnc2)cc1
InChIInChI=1S/C18H16N4O3S/c19-16-5-1-2-6-17(16)21-18(23)13-7-9-14(10-8-13)22-26(24,25)15-4-3-11-20-12-15/h1-12,22H,19H2,(H,21,23)
InChIKeyZMJZKCLXULQPKQ-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.72
Rot. Bonds5

About N-(2-aminophenyl)-4-(pyridin-3-ylsulfonylamino)benzamide

N-(2-aminophenyl)-4-(pyridin-3-ylsulfonylamino)benzamide (PubChem CID 139811841) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-(pyridin-3-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-(pyridin-3-ylsulfonylamino)benzamide
PubChem CID139811841
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC NameN-(2-aminophenyl)-4-(pyridin-3-ylsulfonylamino)benzamide
SMILESNc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2cccnc2)cc1
InChIInChI=1S/C18H16N4O3S/c19-16-5-1-2-6-17(16)21-18(23)13-7-9-14(10-8-13)22-26(24,25)15-4-3-11-20-12-15/h1-12,22H,19H2,(H,21,23)
InChIKeyZMJZKCLXULQPKQ-UHFFFAOYSA-N
XLogP2.72
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide
CID 22668144
N-(2-aminophenyl)-4-(hydroxyamino)benzamide
CID 155418611
4-acetamido-N-(2-aminophenyl)benzamide
CID 2746
N-(2-aminophenyl)-4-[(2-methoxy-2-pyridin-3-ylpropanoyl)amino]benzamide
CID 68848138
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 51162183
4-(benzenesulfonamido)-N-(2,3-dimethylphenyl)benzamide
CID 1252770
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-pyridin-3-ylcarbamate;sulfuric acid
CID 68850450
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-(pyridin-3-ylmethyl)carbamate
CID 57350010
N-(2-aminophenyl)-4-imidazol-1-ylbenzamide
CID 110484015
2-[[4-(benzenesulfonamido)benzoyl]amino]-N-propan-2-ylbenzamide
CID 2979282
N-(2-aminophenyl)-4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzamide
CID 11494562

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-(pyridin-3-ylsulfonylamino)benzamide?
The IUPAC name of N-(2-aminophenyl)-4-(pyridin-3-ylsulfonylamino)benzamide (CID 139811841) is N-(2-aminophenyl)-4-(pyridin-3-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-(pyridin-3-ylsulfonylamino)benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-(pyridin-3-ylsulfonylamino)benzamide is Nc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2cccnc2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-(pyridin-3-ylsulfonylamino)benzamide?
The InChIKey is ZMJZKCLXULQPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c19-16-5-1-2-6-17(16)21-18(23)13-7-9-14(10-8-13)22-26(24,25)15-4-3-11-20-12-15/h1-12,22H,19H2,(H,21,23).
What are the key properties of N-(2-aminophenyl)-4-(pyridin-3-ylsulfonylamino)benzamide?
N-(2-aminophenyl)-4-(pyridin-3-ylsulfonylamino)benzamide has a molecular weight of 368.42 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-(pyridin-3-ylsulfonylamino)benzamide is sourced from PubChem (CID 139811841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).