4-methoxy-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride

C14H23ClN2O3S — CID 119974453

IUPAC4-methoxy-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCOc1cc(C)c(S(=O)(=O)NCC2CCCN2)c(C)c1.Cl
InChIInChI=1S/C14H22N2O3S.ClH/c1-10-7-13(19-3)8-11(2)14(10)20(17,18)16-9-12-5-4-6-15-12;/h7-8,12,15-16H,4-6,9H2,1-3H3;1H
InChIKeyFWNFSCIYJDZHSE-UHFFFAOYSA-N
MW334.87 g/mol
LogP1.76
Rot. Bonds5

About 4-methoxy-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride

4-methoxy-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride (PubChem CID 119974453) has the molecular formula C14H23ClN2O3S and a molecular weight of 334.87 g/mol. Its IUPAC name is 4-methoxy-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
PubChem CID119974453
Molecular FormulaC14H23ClN2O3S
Molecular Weight334.87 g/mol
Exact Mass334.11
IUPAC Name4-methoxy-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCOc1cc(C)c(S(=O)(=O)NCC2CCCN2)c(C)c1.Cl
InChIInChI=1S/C14H22N2O3S.ClH/c1-10-7-13(19-3)8-11(2)14(10)20(17,18)16-9-12-5-4-6-15-12;/h7-8,12,15-16H,4-6,9H2,1-3H3;1H
InChIKeyFWNFSCIYJDZHSE-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-trimethoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 120876426
4-fluoro-2,6-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723520
4-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974273
4-fluoro-2,6-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 107328359
4-fluoro-2,6-dimethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 107328360
2-methoxy-5-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 55084395
methyl 2-methyl-4-(pyrrolidin-2-ylmethylsulfamoyl)benzoate;hydrochloride
CID 119974554
methyl 4-methyl-3-(pyrrolidin-2-ylmethylsulfamoyl)benzoate
CID 62541476
4-methoxy-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 167945506
3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119974164
3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974293
4-chloro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 55084488

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-methoxy-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride (CID 119974453) is 4-methoxy-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-methoxy-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-methoxy-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride is COc1cc(C)c(S(=O)(=O)NCC2CCCN2)c(C)c1.Cl.
What is the InChIKey of 4-methoxy-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride?
The InChIKey is FWNFSCIYJDZHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S.ClH/c1-10-7-13(19-3)8-11(2)14(10)20(17,18)16-9-12-5-4-6-15-12;/h7-8,12,15-16H,4-6,9H2,1-3H3;1H.
What are the key properties of 4-methoxy-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride?
4-methoxy-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride has a molecular weight of 334.87 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119974453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).