N-cycloheptyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluorobenzamide

C21H31FN2O3S — CID 4621990

IUPACN-cycloheptyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluorobenzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(F)c(C(=O)NC3CCCCCC3)c2)C1
InChIInChI=1S/C21H31FN2O3S/c1-15-11-16(2)14-24(13-15)28(26,27)18-9-10-20(22)19(12-18)21(25)23-17-7-5-3-4-6-8-17/h9-10,12,15-17H,3-8,11,13-14H2,1-2H3,(H,23,25)
InChIKeyYKLBHWYHYYIVMY-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.94
Rot. Bonds4

About N-cycloheptyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluorobenzamide

N-cycloheptyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluorobenzamide (PubChem CID 4621990) has the molecular formula C21H31FN2O3S and a molecular weight of 410.56 g/mol. Its IUPAC name is N-cycloheptyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluorobenzamide.

Molecular Properties

Compound NameN-cycloheptyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluorobenzamide
PubChem CID4621990
Molecular FormulaC21H31FN2O3S
Molecular Weight410.56 g/mol
Exact Mass410.20
IUPAC NameN-cycloheptyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluorobenzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(F)c(C(=O)NC3CCCCCC3)c2)C1
InChIInChI=1S/C21H31FN2O3S/c1-15-11-16(2)14-24(13-15)28(26,27)18-9-10-20(22)19(12-18)21(25)23-17-7-5-3-4-6-8-17/h9-10,12,15-17H,3-8,11,13-14H2,1-2H3,(H,23,25)
InChIKeyYKLBHWYHYYIVMY-UHFFFAOYSA-N
XLogP3.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(2-methylcyclohexyl)benzamide
CID 4621994
N-cyclopentyl-2-fluoro-5-piperidin-1-ylsulfonylbenzamide
CID 27261803
N-(3,4-dimethylphenyl)-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-fluorobenzamide
CID 7032363
2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591311
N-cyclopentyl-2-[[3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide
CID 16548323
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2,5-difluorobenzamide
CID 43030164
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide
CID 126479356
N-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 51158808
5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide
CID 46387464
N-cycloheptyl-2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591241
N-cyclohexyl-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide
CID 7376460
5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluorobenzamide?
The IUPAC name of N-cycloheptyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluorobenzamide (CID 4621990) is N-cycloheptyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluorobenzamide.
What is the SMILES notation for N-cycloheptyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluorobenzamide?
The canonical SMILES for N-cycloheptyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluorobenzamide is CC1CC(C)CN(S(=O)(=O)c2ccc(F)c(C(=O)NC3CCCCCC3)c2)C1.
What is the InChIKey of N-cycloheptyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluorobenzamide?
The InChIKey is YKLBHWYHYYIVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN2O3S/c1-15-11-16(2)14-24(13-15)28(26,27)18-9-10-20(22)19(12-18)21(25)23-17-7-5-3-4-6-8-17/h9-10,12,15-17H,3-8,11,13-14H2,1-2H3,(H,23,25).
What are the key properties of N-cycloheptyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluorobenzamide?
N-cycloheptyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluorobenzamide has a molecular weight of 410.56 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluorobenzamide is sourced from PubChem (CID 4621990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).