N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide

C20H22F2N2O3S — CID 3602667

IUPACN-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide
SMILESCc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C20H22F2N2O3S/c1-14-6-7-18(23-20(25)15-10-16(21)12-17(22)11-15)13-19(14)28(26,27)24-8-4-2-3-5-9-24/h6-7,10-13H,2-5,8-9H2,1H3,(H,23,25)
InChIKeyZGWMNQJZTDQWOF-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.09
Rot. Bonds4

About N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide

N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide (PubChem CID 3602667) has the molecular formula C20H22F2N2O3S and a molecular weight of 408.47 g/mol. Its IUPAC name is N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide
PubChem CID3602667
Molecular FormulaC20H22F2N2O3S
Molecular Weight408.47 g/mol
Exact Mass408.13
IUPAC NameN-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide
SMILESCc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C20H22F2N2O3S/c1-14-6-7-18(23-20(25)15-10-16(21)12-17(22)11-15)13-19(14)28(26,27)24-8-4-2-3-5-9-24/h6-7,10-13H,2-5,8-9H2,1H3,(H,23,25)
InChIKeyZGWMNQJZTDQWOF-UHFFFAOYSA-N
XLogP4.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 24635475
3,5-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 4874945
4-(dimethylamino)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 25443715
N-(3-chloro-4-methylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059846
N-(3-iodo-4-methylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3963878
3,5-difluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 9415065
3-fluoro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 56922332
N-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3319153
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1,3-benzodioxole-5-carboxamide
CID 71904754
N-(4-carbamoylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8885356
N-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2666218
2,5-dimethyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 56921836

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide?
The IUPAC name of N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide (CID 3602667) is N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide is Cc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1S(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide?
The InChIKey is ZGWMNQJZTDQWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3S/c1-14-6-7-18(23-20(25)15-10-16(21)12-17(22)11-15)13-19(14)28(26,27)24-8-4-2-3-5-9-24/h6-7,10-13H,2-5,8-9H2,1H3,(H,23,25).
What are the key properties of N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide?
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide has a molecular weight of 408.47 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide is sourced from PubChem (CID 3602667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).