6-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide

C18H13Cl2N3O3S — CID 5082311

IUPAC6-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc(Cl)nc1
InChIInChI=1S/C18H13Cl2N3O3S/c19-13-5-7-14(8-6-13)23-27(25,26)16-3-1-2-15(10-16)22-18(24)12-4-9-17(20)21-11-12/h1-11,23H,(H,22,24)
InChIKeyMQAIBRUZZJHZGQ-UHFFFAOYSA-N
MW422.29 g/mol
LogP4.44
Rot. Bonds5

About 6-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide

6-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 5082311) has the molecular formula C18H13Cl2N3O3S and a molecular weight of 422.29 g/mol. Its IUPAC name is 6-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
PubChem CID5082311
Molecular FormulaC18H13Cl2N3O3S
Molecular Weight422.29 g/mol
Exact Mass421.01
IUPAC Name6-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc(Cl)nc1
InChIInChI=1S/C18H13Cl2N3O3S/c19-13-5-7-14(8-6-13)23-27(25,26)16-3-1-2-15(10-16)22-18(24)12-4-9-17(20)21-11-12/h1-11,23H,(H,22,24)
InChIKeyMQAIBRUZZJHZGQ-UHFFFAOYSA-N
XLogP4.44
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.29
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(4-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 2121872
2-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide
CID 3361061
N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyridine-3-carboxamide
CID 4879012
N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 2316496
N-(3-{N-[(4-chlorophenyl)sulfonyl]ethanehydrazonoyl}phenyl)isonicotinamide
CID 5454652
6-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-pyridinecarboxamide
CID 4875182
2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-sulfamoylbenzamide
CID 52948348
4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 59053520
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]pyridine-3-carboxamide
CID 130431491
4-chloro-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 139390897
3-chloro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 139390901
3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139390941

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide (CID 5082311) is 6-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is MQAIBRUZZJHZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O3S/c19-13-5-7-14(8-6-13)23-27(25,26)16-3-1-2-15(10-16)22-18(24)12-4-9-17(20)21-11-12/h1-11,23H,(H,22,24).
What are the key properties of 6-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
6-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 422.29 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 5082311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).