N-[(4-chlorophenyl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide

C19H20ClFN2O3S — CID 26533312

IUPACN-[(4-chlorophenyl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H20ClFN2O3S/c20-16-7-4-14(5-8-16)13-22-19(24)15-6-9-17(21)18(12-15)27(25,26)23-10-2-1-3-11-23/h4-9,12H,1-3,10-11,13H2,(H,22,24)
InChIKeyVCMNNEZGYLASIM-UHFFFAOYSA-N
MW410.90 g/mol
LogP3.58
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide

N-[(4-chlorophenyl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 26533312) has the molecular formula C19H20ClFN2O3S and a molecular weight of 410.90 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
PubChem CID26533312
Molecular FormulaC19H20ClFN2O3S
Molecular Weight410.90 g/mol
Exact Mass410.09
IUPAC NameN-[(4-chlorophenyl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H20ClFN2O3S/c20-16-7-4-14(5-8-16)13-22-19(24)15-6-9-17(21)18(12-15)27(25,26)23-10-2-1-3-11-23/h4-9,12H,1-3,10-11,13H2,(H,22,24)
InChIKeyVCMNNEZGYLASIM-UHFFFAOYSA-N
XLogP3.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepan-1-ylsulfonyl)-4-chloro-N-[(4-chlorophenyl)methyl]benzamide
CID 5155963
3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 2597746
4-chloro-3-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)benzamide
CID 2524943
4-chloro-N-[2-(4-chlorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 92532196
4-fluoro-N-(2-hydroxypropyl)-3-piperidin-1-ylsulfonylbenzamide
CID 78856177
4-chloro-N-[(4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7959660
4-fluoro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 55597318
4-fluoro-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 38772491
N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26575157
N-[[4-(dimethylamino)phenyl]methyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 9303699
methyl 4-[2-[(4-fluoro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]ethyl]benzoate
CID 37028211
4-fluoro-N-[3-(2-oxoazepan-1-yl)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46596810

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide (CID 26533312) is N-[(4-chlorophenyl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide is O=C(NCc1ccc(Cl)cc1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is VCMNNEZGYLASIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O3S/c20-16-7-4-14(5-8-16)13-22-19(24)15-6-9-17(21)18(12-15)27(25,26)23-10-2-1-3-11-23/h4-9,12H,1-3,10-11,13H2,(H,22,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
N-[(4-chlorophenyl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 410.90 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26533312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).