2-chloro-4-fluoro-N-[[6-[methyl(propyl)amino]-3-pyridinyl]sulfonyl]benzamide

C16H17ClFN3O3S — CID 25001370

IUPAC2-chloro-4-fluoro-N-[[6-[methyl(propyl)amino]-3-pyridinyl]sulfonyl]benzamide
SMILESCCCN(C)c1ccc(S(=O)(=O)NC(=O)c2ccc(F)cc2Cl)cn1
InChIInChI=1S/C16H17ClFN3O3S/c1-3-8-21(2)15-7-5-12(10-19-15)25(23,24)20-16(22)13-6-4-11(18)9-14(13)17/h4-7,9-10H,3,8H2,1-2H3,(H,20,22)
InChIKeyXDGHAFNALIIZPD-UHFFFAOYSA-N
MW385.85 g/mol
LogP2.84
Rot. Bonds6

About 2-chloro-4-fluoro-N-[[6-[methyl(propyl)amino]-3-pyridinyl]sulfonyl]benzamide

2-chloro-4-fluoro-N-[[6-[methyl(propyl)amino]-3-pyridinyl]sulfonyl]benzamide (PubChem CID 25001370) has the molecular formula C16H17ClFN3O3S and a molecular weight of 385.85 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[[6-[methyl(propyl)amino]-3-pyridinyl]sulfonyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[[6-[methyl(propyl)amino]-3-pyridinyl]sulfonyl]benzamide
PubChem CID25001370
Molecular FormulaC16H17ClFN3O3S
Molecular Weight385.85 g/mol
Exact Mass385.07
IUPAC Name2-chloro-4-fluoro-N-[[6-[methyl(propyl)amino]-3-pyridinyl]sulfonyl]benzamide
SMILESCCCN(C)c1ccc(S(=O)(=O)NC(=O)c2ccc(F)cc2Cl)cn1
InChIInChI=1S/C16H17ClFN3O3S/c1-3-8-21(2)15-7-5-12(10-19-15)25(23,24)20-16(22)13-6-4-11(18)9-14(13)17/h4-7,9-10H,3,8H2,1-2H3,(H,20,22)
InChIKeyXDGHAFNALIIZPD-UHFFFAOYSA-N
XLogP2.84
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]sulfonyl]thiophene-3-carboxamide
CID 167811718
2-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-fluorobenzamide
CID 9415986
N-(2-chloro-5-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 107531127
2-chloro-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide
CID 6465941
3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid
CID 122059482
4-[(2-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43096347
6-[2-cyanoethyl(methyl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
CID 133381584
2-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzamide
CID 17144545
2-chloro-4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 33430634
2-chloro-4-fluoro-N-[2-(N-methylanilino)ethyl]benzamide
CID 25395334
2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-fluorobenzamide
CID 26522089
2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide
CID 133351800

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[[6-[methyl(propyl)amino]-3-pyridinyl]sulfonyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[[6-[methyl(propyl)amino]-3-pyridinyl]sulfonyl]benzamide (CID 25001370) is 2-chloro-4-fluoro-N-[[6-[methyl(propyl)amino]-3-pyridinyl]sulfonyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[[6-[methyl(propyl)amino]-3-pyridinyl]sulfonyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[[6-[methyl(propyl)amino]-3-pyridinyl]sulfonyl]benzamide is CCCN(C)c1ccc(S(=O)(=O)NC(=O)c2ccc(F)cc2Cl)cn1.
What is the InChIKey of 2-chloro-4-fluoro-N-[[6-[methyl(propyl)amino]-3-pyridinyl]sulfonyl]benzamide?
The InChIKey is XDGHAFNALIIZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3O3S/c1-3-8-21(2)15-7-5-12(10-19-15)25(23,24)20-16(22)13-6-4-11(18)9-14(13)17/h4-7,9-10H,3,8H2,1-2H3,(H,20,22).
What are the key properties of 2-chloro-4-fluoro-N-[[6-[methyl(propyl)amino]-3-pyridinyl]sulfonyl]benzamide?
2-chloro-4-fluoro-N-[[6-[methyl(propyl)amino]-3-pyridinyl]sulfonyl]benzamide has a molecular weight of 385.85 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[[6-[methyl(propyl)amino]-3-pyridinyl]sulfonyl]benzamide is sourced from PubChem (CID 25001370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).