2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]pyridine-3-carboxamide

C14H14ClN3O4S — CID 55389617

IUPAC2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]pyridine-3-carboxamide
SMILESCON(C)S(=O)(=O)c1ccc(NC(=O)c2cccnc2Cl)cc1
InChIInChI=1S/C14H14ClN3O4S/c1-18(22-2)23(20,21)11-7-5-10(6-8-11)17-14(19)12-4-3-9-16-13(12)15/h3-9H,1-2H3,(H,17,19)
InChIKeyXWXUWBVNWWRBIO-UHFFFAOYSA-N
MW355.80 g/mol
LogP2.17
Rot. Bonds5

About 2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]pyridine-3-carboxamide

2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 55389617) has the molecular formula C14H14ClN3O4S and a molecular weight of 355.80 g/mol. Its IUPAC name is 2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]pyridine-3-carboxamide
PubChem CID55389617
Molecular FormulaC14H14ClN3O4S
Molecular Weight355.80 g/mol
Exact Mass355.04
IUPAC Name2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]pyridine-3-carboxamide
SMILESCON(C)S(=O)(=O)c1ccc(NC(=O)c2cccnc2Cl)cc1
InChIInChI=1S/C14H14ClN3O4S/c1-18(22-2)23(20,21)11-7-5-10(6-8-11)17-14(19)12-4-3-9-16-13(12)15/h3-9H,1-2H3,(H,17,19)
InChIKeyXWXUWBVNWWRBIO-UHFFFAOYSA-N
XLogP2.17
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 4063614
N-(4-bromophenyl)-2-chloropyridine-3-carboxamide
CID 4604195
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2,4-dimethylbenzamide
CID 60601161
N-[4-(acetylcarbamothioylamino)phenyl]-2-chloropyridine-3-carboxamide
CID 930095
2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55389383
2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide
CID 60637342
2-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide
CID 61072257
2-chloro-N-[3-(dimethylamino)-4-methylphenyl]pyridine-3-carboxamide
CID 115376771
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 55389585
2-chloro-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 84580348
2-chloro-N-[4-(2-hydroxyethoxy)phenyl]pyridine-3-carboxamide
CID 111113147
2-chloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide
CID 61041355

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]pyridine-3-carboxamide (CID 55389617) is 2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]pyridine-3-carboxamide is CON(C)S(=O)(=O)c1ccc(NC(=O)c2cccnc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is XWXUWBVNWWRBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O4S/c1-18(22-2)23(20,21)11-7-5-10(6-8-11)17-14(19)12-4-3-9-16-13(12)15/h3-9H,1-2H3,(H,17,19).
What are the key properties of 2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 355.80 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55389617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).