2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide

C20H18ClN3O3S — CID 24686397

IUPAC2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C20H18ClN3O3S/c1-14-6-8-15(9-7-14)12-23-20(25)17-4-2-3-5-18(17)24-28(26,27)16-10-11-19(21)22-13-16/h2-11,13,24H,12H2,1H3,(H,23,25)
InChIKeyXXPOVHWBIPWWOX-UHFFFAOYSA-N
MW415.90 g/mol
LogP3.77
Rot. Bonds6

About 2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide

2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 24686397) has the molecular formula C20H18ClN3O3S and a molecular weight of 415.90 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide
PubChem CID24686397
Molecular FormulaC20H18ClN3O3S
Molecular Weight415.90 g/mol
Exact Mass415.08
IUPAC Name2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C20H18ClN3O3S/c1-14-6-8-15(9-7-14)12-23-20(25)17-4-2-3-5-18(17)24-28(26,27)16-10-11-19(21)22-13-16/h2-11,13,24H,12H2,1H3,(H,23,25)
InChIKeyXXPOVHWBIPWWOX-UHFFFAOYSA-N
XLogP3.77
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 53.77
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

N-(4-Chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide
CID 9797919
Chmfl-PI4K-127
CID 141754964
Tubulin inhibitor 11
CID 139369407
3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139390983
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
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 2386434
2-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide
CID 3361061
6-Methyl-N-[2-(toluene-4-sulfonylamino)-ethyl]-nicotinamide
CID 6498635
N-(3-{N-[(4-chlorophenyl)sulfonyl]ethanehydrazonoyl}phenyl)isonicotinamide
CID 5454652
6-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-pyridinecarboxamide
CID 4875182

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide (CID 24686397) is 2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)nc2)cc1.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is XXPOVHWBIPWWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S/c1-14-6-8-15(9-7-14)12-23-20(25)17-4-2-3-5-18(17)24-28(26,27)16-10-11-19(21)22-13-16/h2-11,13,24H,12H2,1H3,(H,23,25).
What are the key properties of 2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide?
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 415.90 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 24686397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).