3-(methoxymethyl)-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride

C14H23ClN2O3S — CID 120722944

IUPAC3-(methoxymethyl)-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
SMILESCOCc1cccc(S(=O)(=O)NC2CNCCC2C)c1.Cl
InChIInChI=1S/C14H22N2O3S.ClH/c1-11-6-7-15-9-14(11)16-20(17,18)13-5-3-4-12(8-13)10-19-2;/h3-5,8,11,14-16H,6-7,9-10H2,1-2H3;1H
InChIKeyVMNFGJUKYDBCQA-UHFFFAOYSA-N
MW334.87 g/mol
LogP1.53
Rot. Bonds5

About 3-(methoxymethyl)-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride

3-(methoxymethyl)-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride (PubChem CID 120722944) has the molecular formula C14H23ClN2O3S and a molecular weight of 334.87 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-(methoxymethyl)-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
PubChem CID120722944
Molecular FormulaC14H23ClN2O3S
Molecular Weight334.87 g/mol
Exact Mass334.11
IUPAC Name3-(methoxymethyl)-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
SMILESCOCc1cccc(S(=O)(=O)NC2CNCCC2C)c1.Cl
InChIInChI=1S/C14H22N2O3S.ClH/c1-11-6-7-15-9-14(11)16-20(17,18)13-5-3-4-12(8-13)10-19-2;/h3-5,8,11,14-16H,6-7,9-10H2,1-2H3;1H
InChIKeyVMNFGJUKYDBCQA-UHFFFAOYSA-N
XLogP1.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722663
3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 55202262
3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724849
3-(methoxymethyl)-N-piperidin-3-ylbenzenesulfonamide
CID 119964445
3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120724850
3,4-dichloro-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 120722990
N-(4-methylpiperidin-3-yl)-4-phenylbenzenesulfonamide;hydrochloride
CID 120722805
methyl 4-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 120723104
3-fluoro-N-(4-methylpiperidin-3-yl)-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120722763
N-[2-bromo-4-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 120723237
N-[[2-methoxy-5-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]methyl]propanamide;hydrochloride
CID 120722908
2,3-difluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722734

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 3-(methoxymethyl)-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride (CID 120722944) is 3-(methoxymethyl)-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-(methoxymethyl)-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 3-(methoxymethyl)-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride is COCc1cccc(S(=O)(=O)NC2CNCCC2C)c1.Cl.
What is the InChIKey of 3-(methoxymethyl)-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride?
The InChIKey is VMNFGJUKYDBCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S.ClH/c1-11-6-7-15-9-14(11)16-20(17,18)13-5-3-4-12(8-13)10-19-2;/h3-5,8,11,14-16H,6-7,9-10H2,1-2H3;1H.
What are the key properties of 3-(methoxymethyl)-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride?
3-(methoxymethyl)-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride has a molecular weight of 334.87 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120722944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).