3-(4-cyclohexylpiperazin-1-yl)sulfonyl-4-fluoro-N-(3-methylphenyl)benzamide

C24H30FN3O3S — CID 5156681

IUPAC3-(4-cyclohexylpiperazin-1-yl)sulfonyl-4-fluoro-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C4CCCCC4)CC3)c2)c1
InChIInChI=1S/C24H30FN3O3S/c1-18-6-5-7-20(16-18)26-24(29)19-10-11-22(25)23(17-19)32(30,31)28-14-12-27(13-15-28)21-8-3-2-4-9-21/h5-7,10-11,16-17,21H,2-4,8-9,12-15H2,1H3,(H,26,29)
InChIKeyFVLBJLIURZSNEM-UHFFFAOYSA-N
MW459.59 g/mol
LogP4.03
Rot. Bonds5

About 3-(4-cyclohexylpiperazin-1-yl)sulfonyl-4-fluoro-N-(3-methylphenyl)benzamide

3-(4-cyclohexylpiperazin-1-yl)sulfonyl-4-fluoro-N-(3-methylphenyl)benzamide (PubChem CID 5156681) has the molecular formula C24H30FN3O3S and a molecular weight of 459.59 g/mol. Its IUPAC name is 3-(4-cyclohexylpiperazin-1-yl)sulfonyl-4-fluoro-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name3-(4-cyclohexylpiperazin-1-yl)sulfonyl-4-fluoro-N-(3-methylphenyl)benzamide
PubChem CID5156681
Molecular FormulaC24H30FN3O3S
Molecular Weight459.59 g/mol
Exact Mass459.20
IUPAC Name3-(4-cyclohexylpiperazin-1-yl)sulfonyl-4-fluoro-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C4CCCCC4)CC3)c2)c1
InChIInChI=1S/C24H30FN3O3S/c1-18-6-5-7-20(16-18)26-24(29)19-10-11-22(25)23(17-19)32(30,31)28-14-12-27(13-15-28)21-8-3-2-4-9-21/h5-7,10-11,16-17,21H,2-4,8-9,12-15H2,1H3,(H,26,29)
InChIKeyFVLBJLIURZSNEM-UHFFFAOYSA-N
XLogP4.03
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3248945
4-fluoro-3-(4-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 27241778
N-(3-ethynylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 43042263
4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 4089870
N-(4-acetylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26665148
4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 71904572
4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26594011
N-(3,5-difluorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 27906900
4-chloro-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1379071
1-cycloheptyl-4-(3-methylphenyl)sulfonylpiperazine
CID 113074976
3-(4-ethylpiperazin-1-yl)sulfonyl-4-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride
CID 126479404
N-(3,4-difluorophenyl)-4-fluoro-3-(4-hydroxy-5-methylazepan-1-yl)sulfonylbenzamide
CID 118230125

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexylpiperazin-1-yl)sulfonyl-4-fluoro-N-(3-methylphenyl)benzamide?
The IUPAC name of 3-(4-cyclohexylpiperazin-1-yl)sulfonyl-4-fluoro-N-(3-methylphenyl)benzamide (CID 5156681) is 3-(4-cyclohexylpiperazin-1-yl)sulfonyl-4-fluoro-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 3-(4-cyclohexylpiperazin-1-yl)sulfonyl-4-fluoro-N-(3-methylphenyl)benzamide?
The canonical SMILES for 3-(4-cyclohexylpiperazin-1-yl)sulfonyl-4-fluoro-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C4CCCCC4)CC3)c2)c1.
What is the InChIKey of 3-(4-cyclohexylpiperazin-1-yl)sulfonyl-4-fluoro-N-(3-methylphenyl)benzamide?
The InChIKey is FVLBJLIURZSNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O3S/c1-18-6-5-7-20(16-18)26-24(29)19-10-11-22(25)23(17-19)32(30,31)28-14-12-27(13-15-28)21-8-3-2-4-9-21/h5-7,10-11,16-17,21H,2-4,8-9,12-15H2,1H3,(H,26,29).
What are the key properties of 3-(4-cyclohexylpiperazin-1-yl)sulfonyl-4-fluoro-N-(3-methylphenyl)benzamide?
3-(4-cyclohexylpiperazin-1-yl)sulfonyl-4-fluoro-N-(3-methylphenyl)benzamide has a molecular weight of 459.59 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylpiperazin-1-yl)sulfonyl-4-fluoro-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 5156681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).