N-(1-acetylpiperidin-4-yl)-4-chloro-N-cyclopropylbenzenesulfonamide

C16H21ClN2O3S — CID 4081892

IUPACN-(1-acetylpiperidin-4-yl)-4-chloro-N-cyclopropylbenzenesulfonamide
SMILESCC(=O)N1CCC(N(C2CC2)S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H21ClN2O3S/c1-12(20)18-10-8-15(9-11-18)19(14-4-5-14)23(21,22)16-6-2-13(17)3-7-16/h2-3,6-7,14-15H,4-5,8-11H2,1H3
InChIKeyJNENSCMSNBTXHC-UHFFFAOYSA-N
MW356.88 g/mol
LogP2.50
Rot. Bonds4

About N-(1-acetylpiperidin-4-yl)-4-chloro-N-cyclopropylbenzenesulfonamide

N-(1-acetylpiperidin-4-yl)-4-chloro-N-cyclopropylbenzenesulfonamide (PubChem CID 4081892) has the molecular formula C16H21ClN2O3S and a molecular weight of 356.88 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-4-chloro-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-4-chloro-N-cyclopropylbenzenesulfonamide
PubChem CID4081892
Molecular FormulaC16H21ClN2O3S
Molecular Weight356.88 g/mol
Exact Mass356.10
IUPAC NameN-(1-acetylpiperidin-4-yl)-4-chloro-N-cyclopropylbenzenesulfonamide
SMILESCC(=O)N1CCC(N(C2CC2)S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H21ClN2O3S/c1-12(20)18-10-8-15(9-11-18)19(14-4-5-14)23(21,22)16-6-2-13(17)3-7-16/h2-3,6-7,14-15H,4-5,8-11H2,1H3
InChIKeyJNENSCMSNBTXHC-UHFFFAOYSA-N
XLogP2.50
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(4-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 92510281
N-cyclopropyl-N-[1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]piperidin-4-yl]benzenesulfonamide
CID 5173746
N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide;hydrochloride
CID 119484347
4-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide
CID 69420374
4-chloro-N-cyclopropyl-N-[1-[(2-propan-2-yl-1H-indol-4-yl)methyl]piperidin-4-yl]benzenesulfonamide
CID 59646702
N-[4-[[4-[cyclopropyl-(1-propylpiperidin-4-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
CID 4143732
4-(4-chlorophenyl)sulfonylpiperidine-1-carbonyl chloride
CID 87288005
1-[2-[(4-chlorophenyl)sulfonyl-ethylamino]acetyl]piperidine-4-carboxamide
CID 2982052
N-cyclopropyl-N-[1-[(3S)-oxolane-3-carbonyl]piperidin-4-yl]benzenesulfonamide
CID 99928671
4-chloro-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 119645347
2-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)ethanone
CID 78761127
1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]butan-1-one
CID 90587716

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-4-chloro-N-cyclopropylbenzenesulfonamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-4-chloro-N-cyclopropylbenzenesulfonamide (CID 4081892) is N-(1-acetylpiperidin-4-yl)-4-chloro-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-4-chloro-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-4-chloro-N-cyclopropylbenzenesulfonamide is CC(=O)N1CCC(N(C2CC2)S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-4-chloro-N-cyclopropylbenzenesulfonamide?
The InChIKey is JNENSCMSNBTXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3S/c1-12(20)18-10-8-15(9-11-18)19(14-4-5-14)23(21,22)16-6-2-13(17)3-7-16/h2-3,6-7,14-15H,4-5,8-11H2,1H3.
What are the key properties of N-(1-acetylpiperidin-4-yl)-4-chloro-N-cyclopropylbenzenesulfonamide?
N-(1-acetylpiperidin-4-yl)-4-chloro-N-cyclopropylbenzenesulfonamide has a molecular weight of 356.88 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-4-chloro-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 4081892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).