N-[[6-(azepan-1-yl)-3-pyridinyl]sulfonyl]-4-chloro-2-(trifluoromethyl)benzamide

C19H19ClF3N3O3S — CID 24998166

IUPACN-[[6-(azepan-1-yl)-3-pyridinyl]sulfonyl]-4-chloro-2-(trifluoromethyl)benzamide
SMILESO=C(NS(=O)(=O)c1ccc(N2CCCCCC2)nc1)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C19H19ClF3N3O3S/c20-13-5-7-15(16(11-13)19(21,22)23)18(27)25-30(28,29)14-6-8-17(24-12-14)26-9-3-1-2-4-10-26/h5-8,11-12H,1-4,9-10H2,(H,25,27)
InChIKeyUBRZIPRRIDAITJ-UHFFFAOYSA-N
MW461.89 g/mol
LogP4.25
Rot. Bonds4

About N-[[6-(azepan-1-yl)-3-pyridinyl]sulfonyl]-4-chloro-2-(trifluoromethyl)benzamide

N-[[6-(azepan-1-yl)-3-pyridinyl]sulfonyl]-4-chloro-2-(trifluoromethyl)benzamide (PubChem CID 24998166) has the molecular formula C19H19ClF3N3O3S and a molecular weight of 461.89 g/mol. Its IUPAC name is N-[[6-(azepan-1-yl)-3-pyridinyl]sulfonyl]-4-chloro-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[6-(azepan-1-yl)-3-pyridinyl]sulfonyl]-4-chloro-2-(trifluoromethyl)benzamide
PubChem CID24998166
Molecular FormulaC19H19ClF3N3O3S
Molecular Weight461.89 g/mol
Exact Mass461.08
IUPAC NameN-[[6-(azepan-1-yl)-3-pyridinyl]sulfonyl]-4-chloro-2-(trifluoromethyl)benzamide
SMILESO=C(NS(=O)(=O)c1ccc(N2CCCCCC2)nc1)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C19H19ClF3N3O3S/c20-13-5-7-15(16(11-13)19(21,22)23)18(27)25-30(28,29)14-6-8-17(24-12-14)26-9-3-1-2-4-10-26/h5-8,11-12H,1-4,9-10H2,(H,25,27)
InChIKeyUBRZIPRRIDAITJ-UHFFFAOYSA-N
XLogP4.25
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.89
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-(trifluoromethyl)benzamide
CID 24956239
2,4-dichloro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]benzamide
CID 24956235
2,4-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]benzamide
CID 24997264
5-chloro-2-fluoro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 71842572
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)benzamide
CID 53149086
2-chloro-4-fluorobenzamide;6-pyrrolidin-1-ylpyridine-3-sulfonic acid
CID 87658965
6-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-methylpyridine-3-sulfonamide
CID 133298305
2,5-dichloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735153
2-[(4-chlorophenyl)sulfonylamino]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 55519672
methane;phenyl carbonochloridate;6-piperidin-1-ylpyridine-3-sulfonamide;N-[(6-piperidin-1-yl-3-pyridinyl)sulfonyl]acetamide
CID 158004590
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152592
(6-piperidin-1-yl-3-pyridinyl)sulfonylmethanol
CID 58327638

Frequently Asked Questions

What is the IUPAC name of N-[[6-(azepan-1-yl)-3-pyridinyl]sulfonyl]-4-chloro-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[[6-(azepan-1-yl)-3-pyridinyl]sulfonyl]-4-chloro-2-(trifluoromethyl)benzamide (CID 24998166) is N-[[6-(azepan-1-yl)-3-pyridinyl]sulfonyl]-4-chloro-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[6-(azepan-1-yl)-3-pyridinyl]sulfonyl]-4-chloro-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[6-(azepan-1-yl)-3-pyridinyl]sulfonyl]-4-chloro-2-(trifluoromethyl)benzamide is O=C(NS(=O)(=O)c1ccc(N2CCCCCC2)nc1)c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[[6-(azepan-1-yl)-3-pyridinyl]sulfonyl]-4-chloro-2-(trifluoromethyl)benzamide?
The InChIKey is UBRZIPRRIDAITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3O3S/c20-13-5-7-15(16(11-13)19(21,22)23)18(27)25-30(28,29)14-6-8-17(24-12-14)26-9-3-1-2-4-10-26/h5-8,11-12H,1-4,9-10H2,(H,25,27).
What are the key properties of N-[[6-(azepan-1-yl)-3-pyridinyl]sulfonyl]-4-chloro-2-(trifluoromethyl)benzamide?
N-[[6-(azepan-1-yl)-3-pyridinyl]sulfonyl]-4-chloro-2-(trifluoromethyl)benzamide has a molecular weight of 461.89 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(azepan-1-yl)-3-pyridinyl]sulfonyl]-4-chloro-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 24998166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).