4-chloro-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide

C15H21ClN2O3S — CID 3160568

IUPAC4-chloro-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESCC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H21ClN2O3S/c1-12-7-10-18(11-8-12)15(19)6-9-17-22(20,21)14-4-2-13(16)3-5-14/h2-5,12,17H,6-11H2,1H3
InChIKeyFUGFUNNYGRAETH-UHFFFAOYSA-N
MW344.86 g/mol
LogP2.27
Rot. Bonds5

About 4-chloro-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide

4-chloro-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide (PubChem CID 3160568) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is 4-chloro-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
PubChem CID3160568
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC Name4-chloro-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESCC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H21ClN2O3S/c1-12-7-10-18(11-8-12)15(19)6-9-17-22(20,21)14-4-2-13(16)3-5-14/h2-5,12,17H,6-11H2,1H3
InChIKeyFUGFUNNYGRAETH-UHFFFAOYSA-N
XLogP2.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-methyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]benzenesulfonamide
CID 804119
1-{2-[(4-Chlorophenyl)sulfonyl]ethyl}piperidine-4-carboxamide
CID 2821923
Cyclohexanecarboxylic acid [1-(4-chloro-benzenesulfonyl)-piperidin-4-yl]-amide
CID 1241283
N-[(2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 2106881
4-chloro-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
CID 2242336
N~1~-[3-(4-Methylpiperidino)-3-oxopropyl]-1-benzenesulfonamide
CID 2537450
{1-[(4-Chlorophenyl)sulfonyl]piperidin-3-yl}(4-methylpiperazin-1-yl)methanone
CID 2930578
N~3~-[(4-chlorophenyl)sulfonyl]-N~1~-(3-methylbutyl)-beta-alaninamide
CID 3243847
2-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 4572889
1-(4-chlorophenyl)sulfonyl-N-(3-piperidin-1-ylpropyl)cyclopropane-1-carboxamide
CID 5309230
4-({[(4-chlorophenyl)sulfonyl]amino}methyl)-N-[3-(diethylamino)propyl]cyclohexanecarboxamide
CID 5323383
Azetidin-1-yl-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methanone
CID 7999036

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide (CID 3160568) is 4-chloro-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide is CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The InChIKey is FUGFUNNYGRAETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-12-7-10-18(11-8-12)15(19)6-9-17-22(20,21)14-4-2-13(16)3-5-14/h2-5,12,17H,6-11H2,1H3.
What are the key properties of 4-chloro-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
4-chloro-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide has a molecular weight of 344.86 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 3160568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).