3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide

C19H20ClFN2O3S — CID 2704881

IUPAC3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C19H20ClFN2O3S/c20-17-10-5-14(19(24)22-16-8-6-15(21)7-9-16)13-18(17)27(25,26)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12H2,(H,22,24)
InChIKeyRLOZBVNPDZOOFU-UHFFFAOYSA-N
MW410.90 g/mol
LogP4.30
Rot. Bonds4

About 3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide

3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide (PubChem CID 2704881) has the molecular formula C19H20ClFN2O3S and a molecular weight of 410.90 g/mol. Its IUPAC name is 3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide
PubChem CID2704881
Molecular FormulaC19H20ClFN2O3S
Molecular Weight410.90 g/mol
Exact Mass410.09
IUPAC Name3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C19H20ClFN2O3S/c20-17-10-5-14(19(24)22-16-8-6-15(21)7-9-16)13-18(17)27(25,26)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12H2,(H,22,24)
InChIKeyRLOZBVNPDZOOFU-UHFFFAOYSA-N
XLogP4.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 12698199
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4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 2485627
2-(benzylamino)-N-butyl-4-chloro-5-sulfamoylbenzamide
CID 126507891
N-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide
CID 126508254
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
n-(3-Acetylphenyl)-4-chloro-3-(4-morpholinylsulfonyl)benzamide
CID 1101763
3-chloro-N-(4-sulfamoylphenyl)benzamide
CID 2455664
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2,3,4,5-tetrafluorobenzamide
CID 4338027
4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-3-sulfamoylbenzamide
CID 4880260
4-{[N-(4-chlorobenzyl)-N-(phenylsulfonyl)glycyl]amino}benzamide
CID 1020207
3-[[[3-(1-Azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]benzoic acid
CID 1251694

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide?
The IUPAC name of 3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide (CID 2704881) is 3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide is O=C(Nc1ccc(F)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1.
What is the InChIKey of 3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide?
The InChIKey is RLOZBVNPDZOOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O3S/c20-17-10-5-14(19(24)22-16-8-6-15(21)7-9-16)13-18(17)27(25,26)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12H2,(H,22,24).
What are the key properties of 3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide?
3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide has a molecular weight of 410.90 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 2704881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).