3-(azepan-1-ylsulfonyl)-N-[2-(difluoromethoxy)phenyl]benzamide

C20H22F2N2O4S — CID 7043681

IUPAC3-(azepan-1-ylsulfonyl)-N-[2-(difluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccccc1OC(F)F)c1cccc(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C20H22F2N2O4S/c21-20(22)28-18-11-4-3-10-17(18)23-19(25)15-8-7-9-16(14-15)29(26,27)24-12-5-1-2-6-13-24/h3-4,7-11,14,20H,1-2,5-6,12-13H2,(H,23,25)
InChIKeyOEKFJKWDSAQYFV-UHFFFAOYSA-N
MW424.47 g/mol
LogP4.11
Rot. Bonds6

About 3-(azepan-1-ylsulfonyl)-N-[2-(difluoromethoxy)phenyl]benzamide

3-(azepan-1-ylsulfonyl)-N-[2-(difluoromethoxy)phenyl]benzamide (PubChem CID 7043681) has the molecular formula C20H22F2N2O4S and a molecular weight of 424.47 g/mol. Its IUPAC name is 3-(azepan-1-ylsulfonyl)-N-[2-(difluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-(azepan-1-ylsulfonyl)-N-[2-(difluoromethoxy)phenyl]benzamide
PubChem CID7043681
Molecular FormulaC20H22F2N2O4S
Molecular Weight424.47 g/mol
Exact Mass424.13
IUPAC Name3-(azepan-1-ylsulfonyl)-N-[2-(difluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccccc1OC(F)F)c1cccc(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C20H22F2N2O4S/c21-20(22)28-18-11-4-3-10-17(18)23-19(25)15-8-7-9-16(14-15)29(26,27)24-12-5-1-2-6-13-24/h3-4,7-11,14,20H,1-2,5-6,12-13H2,(H,23,25)
InChIKeyOEKFJKWDSAQYFV-UHFFFAOYSA-N
XLogP4.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepan-1-ylsulfonyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 24525410
N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 26181040
3-piperidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 2329024
N-(2-methylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7688908
N-(2-aminophenyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
CID 119422102
N-[2-(2-phenylethoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55675150
3-(azepan-1-ylsulfonyl)-N-(2-phenylphenyl)benzamide
CID 26727547
3-(azepan-1-ylsulfonyl)-N-(2,5-difluorophenyl)benzamide
CID 2711406
N-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 118695530
N-(2-tert-butylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 7688667
2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 4094310
4-(difluoromethoxy)-3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 26065662

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-ylsulfonyl)-N-[2-(difluoromethoxy)phenyl]benzamide?
The IUPAC name of 3-(azepan-1-ylsulfonyl)-N-[2-(difluoromethoxy)phenyl]benzamide (CID 7043681) is 3-(azepan-1-ylsulfonyl)-N-[2-(difluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 3-(azepan-1-ylsulfonyl)-N-[2-(difluoromethoxy)phenyl]benzamide?
The canonical SMILES for 3-(azepan-1-ylsulfonyl)-N-[2-(difluoromethoxy)phenyl]benzamide is O=C(Nc1ccccc1OC(F)F)c1cccc(S(=O)(=O)N2CCCCCC2)c1.
What is the InChIKey of 3-(azepan-1-ylsulfonyl)-N-[2-(difluoromethoxy)phenyl]benzamide?
The InChIKey is OEKFJKWDSAQYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O4S/c21-20(22)28-18-11-4-3-10-17(18)23-19(25)15-8-7-9-16(14-15)29(26,27)24-12-5-1-2-6-13-24/h3-4,7-11,14,20H,1-2,5-6,12-13H2,(H,23,25).
What are the key properties of 3-(azepan-1-ylsulfonyl)-N-[2-(difluoromethoxy)phenyl]benzamide?
3-(azepan-1-ylsulfonyl)-N-[2-(difluoromethoxy)phenyl]benzamide has a molecular weight of 424.47 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-ylsulfonyl)-N-[2-(difluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 7043681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).