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

C14H22Cl2N2O2S — CID 120720844

IUPAC5-chloro-2-methyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCC1(C)CCCNC1.Cl
InChIInChI=1S/C14H21ClN2O2S.ClH/c1-11-4-5-12(15)8-13(11)20(18,19)17-10-14(2)6-3-7-16-9-14;/h4-5,8,16-17H,3,6-7,9-10H2,1-2H3;1H
InChIKeyYXPYCMLWSYXMSK-UHFFFAOYSA-N
MW353.32 g/mol
LogP2.74
Rot. Bonds4

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

5-chloro-2-methyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride (PubChem CID 120720844) has the molecular formula C14H22Cl2N2O2S and a molecular weight of 353.32 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
PubChem CID120720844
Molecular FormulaC14H22Cl2N2O2S
Molecular Weight353.32 g/mol
Exact Mass352.08
IUPAC Name5-chloro-2-methyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCC1(C)CCCNC1.Cl
InChIInChI=1S/C14H21ClN2O2S.ClH/c1-11-4-5-12(15)8-13(11)20(18,19)17-10-14(2)6-3-7-16-9-14;/h4-5,8,16-17H,3,6-7,9-10H2,1-2H3;1H
InChIKeyYXPYCMLWSYXMSK-UHFFFAOYSA-N
XLogP2.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720825
N-[(1-aminocyclohexyl)methyl]-5-chloro-2-methylbenzenesulfonamide;hydrochloride
CID 119958709
4-cyano-2-methyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 106999019
5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120896564
4,5-dimethyl-N-[(3-methylpiperidin-3-yl)methyl]-2-nitrobenzenesulfonamide
CID 120720759
4-bromo-2-fluoro-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 116527979
5-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzenesulfonamide
CID 115755627
4-tert-butyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720862
1,3-dimethyl-N-[(3-methylpiperidin-3-yl)methyl]-2,4-dioxopyrimidine-5-sulfonamide
CID 120720870
3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide;hydrochloride
CID 120720689
N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide;hydrochloride
CID 120720795
N-[(3-methylpiperidin-3-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120720704

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 5-chloro-2-methyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride (CID 120720844) is 5-chloro-2-methyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 5-chloro-2-methyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 5-chloro-2-methyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride is Cc1ccc(Cl)cc1S(=O)(=O)NCC1(C)CCCNC1.Cl.
What is the InChIKey of 5-chloro-2-methyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride?
The InChIKey is YXPYCMLWSYXMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S.ClH/c1-11-4-5-12(15)8-13(11)20(18,19)17-10-14(2)6-3-7-16-9-14;/h4-5,8,16-17H,3,6-7,9-10H2,1-2H3;1H.
What are the key properties of 5-chloro-2-methyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride?
5-chloro-2-methyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride has a molecular weight of 353.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120720844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).