2-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride

C12H19ClN2O3S — CID 120720923

IUPAC2-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCOc1ccccc1S(=O)(=O)NCC1CCNC1.Cl
InChIInChI=1S/C12H18N2O3S.ClH/c1-17-11-4-2-3-5-12(11)18(15,16)14-9-10-6-7-13-8-10;/h2-5,10,13-14H,6-9H2,1H3;1H
InChIKeyBPRZYXJXNIFFAT-UHFFFAOYSA-N
MW306.81 g/mol
LogP1.00
Rot. Bonds5

About 2-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride

2-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride (PubChem CID 120720923) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.81 g/mol. Its IUPAC name is 2-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
PubChem CID120720923
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.81 g/mol
Exact Mass306.08
IUPAC Name2-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCOc1ccccc1S(=O)(=O)NCC1CCNC1.Cl
InChIInChI=1S/C12H18N2O3S.ClH/c1-17-11-4-2-3-5-12(11)18(15,16)14-9-10-6-7-13-8-10;/h2-5,10,13-14H,6-9H2,1H3;1H
InChIKeyBPRZYXJXNIFFAT-UHFFFAOYSA-N
XLogP1.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563364
5-bromo-2-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120720902
3-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 81259552
2-methoxy-N-piperidin-4-ylbenzenesulfonamide
CID 43603348
2-N,2-N-dimethyl-1-N-(piperidin-3-ylmethyl)benzene-1,2-disulfonamide;hydrochloride
CID 120707833
methyl 2-(2-pyrrolidin-3-ylethylsulfamoyl)benzoate;hydrochloride
CID 119977382
4-bromo-2,5-dimethoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120707894
2-methoxy-5-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120721043
2-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121109576
2,3-dimethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 71564527
N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide
CID 64910766
2-methoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108144

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 2-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride (CID 120720923) is 2-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride is COc1ccccc1S(=O)(=O)NCC1CCNC1.Cl.
What is the InChIKey of 2-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride?
The InChIKey is BPRZYXJXNIFFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S.ClH/c1-17-11-4-2-3-5-12(11)18(15,16)14-9-10-6-7-13-8-10;/h2-5,10,13-14H,6-9H2,1H3;1H.
What are the key properties of 2-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride?
2-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride has a molecular weight of 306.81 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120720923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).