N-[2-[(3-sulfamoylphenyl)carbamoyl]cyclohexa-1,3-dien-1-yl]pyridine-3-carboxamide

C19H18N4O4S — CID 71161212

IUPACN-[2-[(3-sulfamoylphenyl)carbamoyl]cyclohexa-1,3-dien-1-yl]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)C2=C(NC(=O)c3cccnc3)CCC=C2)c1
InChIInChI=1S/C19H18N4O4S/c20-28(26,27)15-7-3-6-14(11-15)22-19(25)16-8-1-2-9-17(16)23-18(24)13-5-4-10-21-12-13/h1,3-8,10-12H,2,9H2,(H,22,25)(H,23,24)(H2,20,26,27)
InChIKeyVDJYVZVVRQZDBB-UHFFFAOYSA-N
MW398.44 g/mol
LogP1.70
Rot. Bonds5

About N-[2-[(3-sulfamoylphenyl)carbamoyl]cyclohexa-1,3-dien-1-yl]pyridine-3-carboxamide

N-[2-[(3-sulfamoylphenyl)carbamoyl]cyclohexa-1,3-dien-1-yl]pyridine-3-carboxamide (PubChem CID 71161212) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is N-[2-[(3-sulfamoylphenyl)carbamoyl]cyclohexa-1,3-dien-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-sulfamoylphenyl)carbamoyl]cyclohexa-1,3-dien-1-yl]pyridine-3-carboxamide
PubChem CID71161212
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC NameN-[2-[(3-sulfamoylphenyl)carbamoyl]cyclohexa-1,3-dien-1-yl]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)C2=C(NC(=O)c3cccnc3)CCC=C2)c1
InChIInChI=1S/C19H18N4O4S/c20-28(26,27)15-7-3-6-14(11-15)22-19(25)16-8-1-2-9-17(16)23-18(24)13-5-4-10-21-12-13/h1,3-8,10-12H,2,9H2,(H,22,25)(H,23,24)(H2,20,26,27)
InChIKeyVDJYVZVVRQZDBB-UHFFFAOYSA-N
XLogP1.70
TPSA131.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-[(3-sulfamoylphenyl)carbamoyl]cyclohexa-1,3-dien-1-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-pyridin-3-yl-3-sulfamoylbenzamide
CID 164627954
N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide
CID 39736173
3-methoxy-N-(3-sulfamoylphenyl)pyridine-4-carboxamide
CID 105064331
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 51162183
N-(2-methyl-4-sulfamoylphenyl)pyridine-3-carboxamide
CID 43246544
3-chloro-N-(3-sulfamoylphenyl)benzamide
CID 26580558
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 29373777
N-[3-[(3-tert-butylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 164776585
2-chloro-N-[3-(pyridine-3-carbonylamino)phenyl]pyridine-4-carboxamide
CID 39188157
2-methyl-N-(3-sulfamoylphenyl)pyridine-3-carboxamide
CID 78950909
3-[(3-sulfamoylbenzoyl)amino]benzoic acid
CID 834338

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-sulfamoylphenyl)carbamoyl]cyclohexa-1,3-dien-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(3-sulfamoylphenyl)carbamoyl]cyclohexa-1,3-dien-1-yl]pyridine-3-carboxamide (CID 71161212) is N-[2-[(3-sulfamoylphenyl)carbamoyl]cyclohexa-1,3-dien-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(3-sulfamoylphenyl)carbamoyl]cyclohexa-1,3-dien-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(3-sulfamoylphenyl)carbamoyl]cyclohexa-1,3-dien-1-yl]pyridine-3-carboxamide is NS(=O)(=O)c1cccc(NC(=O)C2=C(NC(=O)c3cccnc3)CCC=C2)c1.
What is the InChIKey of N-[2-[(3-sulfamoylphenyl)carbamoyl]cyclohexa-1,3-dien-1-yl]pyridine-3-carboxamide?
The InChIKey is VDJYVZVVRQZDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c20-28(26,27)15-7-3-6-14(11-15)22-19(25)16-8-1-2-9-17(16)23-18(24)13-5-4-10-21-12-13/h1,3-8,10-12H,2,9H2,(H,22,25)(H,23,24)(H2,20,26,27).
What are the key properties of N-[2-[(3-sulfamoylphenyl)carbamoyl]cyclohexa-1,3-dien-1-yl]pyridine-3-carboxamide?
N-[2-[(3-sulfamoylphenyl)carbamoyl]cyclohexa-1,3-dien-1-yl]pyridine-3-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-sulfamoylphenyl)carbamoyl]cyclohexa-1,3-dien-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 71161212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).