2-chloro-5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride

C13H19Cl2FN2O2S — CID 120720825

IUPAC2-chloro-5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
SMILESCC1(CNS(=O)(=O)c2cc(F)ccc2Cl)CCCNC1.Cl
InChIInChI=1S/C13H18ClFN2O2S.ClH/c1-13(5-2-6-16-8-13)9-17-20(18,19)12-7-10(15)3-4-11(12)14;/h3-4,7,16-17H,2,5-6,8-9H2,1H3;1H
InChIKeyKZYMFGBCDLZLQP-UHFFFAOYSA-N
MW357.28 g/mol
LogP2.57
Rot. Bonds4

About 2-chloro-5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride

2-chloro-5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride (PubChem CID 120720825) has the molecular formula C13H19Cl2FN2O2S and a molecular weight of 357.28 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
PubChem CID120720825
Molecular FormulaC13H19Cl2FN2O2S
Molecular Weight357.28 g/mol
Exact Mass356.05
IUPAC Name2-chloro-5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
SMILESCC1(CNS(=O)(=O)c2cc(F)ccc2Cl)CCCNC1.Cl
InChIInChI=1S/C13H18ClFN2O2S.ClH/c1-13(5-2-6-16-8-13)9-17-20(18,19)12-7-10(15)3-4-11(12)14;/h3-4,7,16-17H,2,5-6,8-9H2,1H3;1H
InChIKeyKZYMFGBCDLZLQP-UHFFFAOYSA-N
XLogP2.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-methyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720844
4-bromo-2-fluoro-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 116527979
2-chloro-N-[[1-(chloromethyl)cyclopentyl]methyl]-5-fluorobenzenesulfonamide
CID 105400715
4-tert-butyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720862
N-[(3-methylpiperidin-3-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120720704
4-cyano-2-methyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 106999019
1,3-dimethyl-N-[(3-methylpiperidin-3-yl)methyl]-2,4-dioxopyrimidine-5-sulfonamide
CID 120720870
4,5-dimethyl-N-[(3-methylpiperidin-3-yl)methyl]-2-nitrobenzenesulfonamide
CID 120720759
N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide;hydrochloride
CID 120720795
4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 120720257
4-butan-2-yl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720830
2-chloro-N-(3-ethyl-2-hydroxypentyl)-5-fluorobenzenesulfonamide
CID 103835211

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 2-chloro-5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride (CID 120720825) is 2-chloro-5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-chloro-5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-chloro-5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride is CC1(CNS(=O)(=O)c2cc(F)ccc2Cl)CCCNC1.Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride?
The InChIKey is KZYMFGBCDLZLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O2S.ClH/c1-13(5-2-6-16-8-13)9-17-20(18,19)12-7-10(15)3-4-11(12)14;/h3-4,7,16-17H,2,5-6,8-9H2,1H3;1H.
What are the key properties of 2-chloro-5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride?
2-chloro-5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride has a molecular weight of 357.28 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120720825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).