4-chloro-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide

C15H21ClN2O3S — CID 4806697

IUPAC4-chloro-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C15H21ClN2O3S/c1-11(2)17-15(19)12-6-7-13(16)14(10-12)22(20,21)18-8-4-3-5-9-18/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,19)
InChIKeyUIVIEWACLTXTTB-UHFFFAOYSA-N
MW344.86 g/mol
LogP2.65
Rot. Bonds4

About 4-chloro-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide

4-chloro-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide (PubChem CID 4806697) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is 4-chloro-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-chloro-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
PubChem CID4806697
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC Name4-chloro-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C15H21ClN2O3S/c1-11(2)17-15(19)12-6-7-13(16)14(10-12)22(20,21)18-8-4-3-5-9-18/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,19)
InChIKeyUIVIEWACLTXTTB-UHFFFAOYSA-N
XLogP2.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(2S)-3-methylbutan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8923234
4-chloro-N-(1-methoxypropan-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18166551
(2R,3R)-2-[(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]-3-methylpentanoic acid
CID 41259616
3-(azepan-1-ylsulfonyl)-4-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 26883024
3-(azepan-1-ylsulfonyl)-4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]benzamide
CID 132674694
4-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 8733033
3-(azepan-1-ylsulfonyl)-4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 94026864
(2S)-2-[(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]-4-methylpentanoic acid
CID 31315997
4-chloro-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-3-piperidin-1-ylsulfonylbenzamide
CID 25372449
N-[1-(1-adamantyl)ethyl]-4-chloro-3-piperidin-1-ylsulfonylbenzamide
CID 4545371
4-chloro-N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide
CID 43876229
3-(azepan-1-ylsulfonyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chlorobenzamide
CID 4839302

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide?
The IUPAC name of 4-chloro-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide (CID 4806697) is 4-chloro-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-chloro-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-chloro-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 4-chloro-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide?
The InChIKey is UIVIEWACLTXTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-11(2)17-15(19)12-6-7-13(16)14(10-12)22(20,21)18-8-4-3-5-9-18/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,19).
What are the key properties of 4-chloro-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide?
4-chloro-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide has a molecular weight of 344.86 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 4806697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).