5-[6-chloro-5-[(4-chlorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide

C18H14Cl2N4O3S — CID 162657647

IUPAC5-[6-chloro-5-[(4-chlorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cncc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C18H14Cl2N4O3S/c1-21-18(25)13-6-11(8-22-9-13)12-7-16(17(20)23-10-12)24-28(26,27)15-4-2-14(19)3-5-15/h2-10,24H,1H3,(H,21,25)
InChIKeyUTAKEWMKXQFAAR-UHFFFAOYSA-N
MW437.31 g/mol
LogP3.61
Rot. Bonds5

About 5-[6-chloro-5-[(4-chlorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide

5-[6-chloro-5-[(4-chlorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide (PubChem CID 162657647) has the molecular formula C18H14Cl2N4O3S and a molecular weight of 437.31 g/mol. Its IUPAC name is 5-[6-chloro-5-[(4-chlorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[6-chloro-5-[(4-chlorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
PubChem CID162657647
Molecular FormulaC18H14Cl2N4O3S
Molecular Weight437.31 g/mol
Exact Mass436.02
IUPAC Name5-[6-chloro-5-[(4-chlorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cncc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C18H14Cl2N4O3S/c1-21-18(25)13-6-11(8-22-9-13)12-7-16(17(20)23-10-12)24-28(26,27)15-4-2-14(19)3-5-15/h2-10,24H,1H3,(H,21,25)
InChIKeyUTAKEWMKXQFAAR-UHFFFAOYSA-N
XLogP3.61
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.31
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Chmfl-PI4K-127
CID 141754964
5-[6-chloro-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
CID 162654796
5-[6-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
CID 162665982
6-chloro-N-(4-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 2121872
6-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-pyridinecarboxamide
CID 4875182
6-chloro-N-{3-[(4-chlorophenyl)sulfamoyl]phenyl}pyridine-3-carboxamide
CID 5082311
4-{[[(4-chlorophenyl)sulfonyl](pyridin-2-ylmethyl)amino]methyl}-N-(cyclopropylmethyl)benzamide
CID 44253168
4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 59053520
4-(3-chloro-2-pyridinyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 59673363
Synthesis of 4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropyl-4-pyridyl]amino]-N-[2-(methane sulfonamido)ethyl]pyridine-3-carboxamide
CID 118211373
3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139390941
5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-N-phenylpyridine-3-carboxamide
CID 141754935

Frequently Asked Questions

What is the IUPAC name of 5-[6-chloro-5-[(4-chlorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-[6-chloro-5-[(4-chlorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide (CID 162657647) is 5-[6-chloro-5-[(4-chlorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[6-chloro-5-[(4-chlorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[6-chloro-5-[(4-chlorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide is CNC(=O)c1cncc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1.
What is the InChIKey of 5-[6-chloro-5-[(4-chlorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide?
The InChIKey is UTAKEWMKXQFAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O3S/c1-21-18(25)13-6-11(8-22-9-13)12-7-16(17(20)23-10-12)24-28(26,27)15-4-2-14(19)3-5-15/h2-10,24H,1H3,(H,21,25).
What are the key properties of 5-[6-chloro-5-[(4-chlorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide?
5-[6-chloro-5-[(4-chlorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide has a molecular weight of 437.31 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-chloro-5-[(4-chlorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 162657647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).