N-[4-[butyl(methyl)sulfamoyl]phenyl]-5,6-dichloropyridine-3-carboxamide

C17H19Cl2N3O3S — CID 7733390

IUPACN-[4-[butyl(methyl)sulfamoyl]phenyl]-5,6-dichloropyridine-3-carboxamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H19Cl2N3O3S/c1-3-4-9-22(2)26(24,25)14-7-5-13(6-8-14)21-17(23)12-10-15(18)16(19)20-11-12/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,23)
InChIKeyPBDFPESBYZNHNT-UHFFFAOYSA-N
MW416.33 g/mol
LogP4.06
Rot. Bonds7

About N-[4-[butyl(methyl)sulfamoyl]phenyl]-5,6-dichloropyridine-3-carboxamide

N-[4-[butyl(methyl)sulfamoyl]phenyl]-5,6-dichloropyridine-3-carboxamide (PubChem CID 7733390) has the molecular formula C17H19Cl2N3O3S and a molecular weight of 416.33 g/mol. Its IUPAC name is N-[4-[butyl(methyl)sulfamoyl]phenyl]-5,6-dichloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[butyl(methyl)sulfamoyl]phenyl]-5,6-dichloropyridine-3-carboxamide
PubChem CID7733390
Molecular FormulaC17H19Cl2N3O3S
Molecular Weight416.33 g/mol
Exact Mass415.05
IUPAC NameN-[4-[butyl(methyl)sulfamoyl]phenyl]-5,6-dichloropyridine-3-carboxamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H19Cl2N3O3S/c1-3-4-9-22(2)26(24,25)14-7-5-13(6-8-14)21-17(23)12-10-15(18)16(19)20-11-12/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,23)
InChIKeyPBDFPESBYZNHNT-UHFFFAOYSA-N
XLogP4.06
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.33
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylsulfanylbenzamide
CID 8623651
N-butyl-5,6-dichloro-N-methylpyridine-3-sulfonamide
CID 64625358
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide
CID 9218315
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 7948731
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011474
N-(3-acetylphenyl)-4-[butyl(methyl)sulfamoyl]benzamide
CID 109061485
N-[4-[(2R)-butan-2-yl]phenyl]-5,6-dichloropyridine-3-carboxamide
CID 7935724
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(difluoromethoxy)benzamide
CID 7948721
N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methoxy-3-nitrobenzamide
CID 7948730
N-(4-carbamoylphenyl)-5,6-dichloropyridine-3-carboxamide
CID 7760364
5,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridine-3-carboxamide
CID 51985204
N-[4-[butyl(methyl)sulfamoyl]phenyl]-1H-indole-2-carboxamide
CID 9223899

Frequently Asked Questions

What is the IUPAC name of N-[4-[butyl(methyl)sulfamoyl]phenyl]-5,6-dichloropyridine-3-carboxamide?
The IUPAC name of N-[4-[butyl(methyl)sulfamoyl]phenyl]-5,6-dichloropyridine-3-carboxamide (CID 7733390) is N-[4-[butyl(methyl)sulfamoyl]phenyl]-5,6-dichloropyridine-3-carboxamide.
What is the SMILES notation for N-[4-[butyl(methyl)sulfamoyl]phenyl]-5,6-dichloropyridine-3-carboxamide?
The canonical SMILES for N-[4-[butyl(methyl)sulfamoyl]phenyl]-5,6-dichloropyridine-3-carboxamide is CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[4-[butyl(methyl)sulfamoyl]phenyl]-5,6-dichloropyridine-3-carboxamide?
The InChIKey is PBDFPESBYZNHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O3S/c1-3-4-9-22(2)26(24,25)14-7-5-13(6-8-14)21-17(23)12-10-15(18)16(19)20-11-12/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,23).
What are the key properties of N-[4-[butyl(methyl)sulfamoyl]phenyl]-5,6-dichloropyridine-3-carboxamide?
N-[4-[butyl(methyl)sulfamoyl]phenyl]-5,6-dichloropyridine-3-carboxamide has a molecular weight of 416.33 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[butyl(methyl)sulfamoyl]phenyl]-5,6-dichloropyridine-3-carboxamide is sourced from PubChem (CID 7733390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).