3-(chloromethyl)-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide

C18H27ClN2O2S — CID 91602582

IUPAC3-(chloromethyl)-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide
SMILESCC1CCN(C2CCC(NS(=O)(=O)c3cccc(CCl)c3)C2)CC1
InChIInChI=1S/C18H27ClN2O2S/c1-14-7-9-21(10-8-14)17-6-5-16(12-17)20-24(22,23)18-4-2-3-15(11-18)13-19/h2-4,11,14,16-17,20H,5-10,12-13H2,1H3
InChIKeyBOQPWWJWKZPFLM-UHFFFAOYSA-N
MW370.95 g/mol
LogP3.36
Rot. Bonds5

About 3-(chloromethyl)-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide

3-(chloromethyl)-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide (PubChem CID 91602582) has the molecular formula C18H27ClN2O2S and a molecular weight of 370.95 g/mol. Its IUPAC name is 3-(chloromethyl)-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide
PubChem CID91602582
Molecular FormulaC18H27ClN2O2S
Molecular Weight370.95 g/mol
Exact Mass370.15
IUPAC Name3-(chloromethyl)-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide
SMILESCC1CCN(C2CCC(NS(=O)(=O)c3cccc(CCl)c3)C2)CC1
InChIInChI=1S/C18H27ClN2O2S/c1-14-7-9-21(10-8-14)17-6-5-16(12-17)20-24(22,23)18-4-2-3-15(11-18)13-19/h2-4,11,14,16-17,20H,5-10,12-13H2,1H3
InChIKeyBOQPWWJWKZPFLM-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.95
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(chloromethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 114279731
N-cyclopropyl-3-ethylbenzenesulfonamide
CID 70914015
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)benzenesulfonamide
CID 113225622
3-(1-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 60874374
3-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride
CID 69420299
3-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide
CID 106093864
3-(aminomethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
CID 106090779
3-[(cyclopropylamino)methyl]-N-(oxolan-3-yl)benzenesulfonamide
CID 106072474
N-methyl-N-[(1R,3S)-3-(4-methylpiperidin-1-yl)cyclopentyl]-3-phenylmethoxybenzenesulfonamide;hydrochloride
CID 10288813
3-[(3-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride
CID 114958166
4-(aminomethyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 16787126
N-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride
CID 18197766

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide?
The IUPAC name of 3-(chloromethyl)-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide (CID 91602582) is 3-(chloromethyl)-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide.
What is the SMILES notation for 3-(chloromethyl)-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide?
The canonical SMILES for 3-(chloromethyl)-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide is CC1CCN(C2CCC(NS(=O)(=O)c3cccc(CCl)c3)C2)CC1.
What is the InChIKey of 3-(chloromethyl)-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide?
The InChIKey is BOQPWWJWKZPFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O2S/c1-14-7-9-21(10-8-14)17-6-5-16(12-17)20-24(22,23)18-4-2-3-15(11-18)13-19/h2-4,11,14,16-17,20H,5-10,12-13H2,1H3.
What are the key properties of 3-(chloromethyl)-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide?
3-(chloromethyl)-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide has a molecular weight of 370.95 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide is sourced from PubChem (CID 91602582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).