4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide

C12H18N2O3S — CID 80563364

IUPAC4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCNC2)cc1
InChIInChI=1S/C12H18N2O3S/c1-17-11-2-4-12(5-3-11)18(15,16)14-9-10-6-7-13-8-10/h2-5,10,13-14H,6-9H2,1H3
InChIKeyBEXBNUNJUORHHD-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.58
Rot. Bonds5

About 4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide

4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide (PubChem CID 80563364) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
PubChem CID80563364
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCNC2)cc1
InChIInChI=1S/C12H18N2O3S/c1-17-11-2-4-12(5-3-11)18(15,16)14-9-10-6-7-13-8-10/h2-5,10,13-14H,6-9H2,1H3
InChIKeyBEXBNUNJUORHHD-UHFFFAOYSA-N
XLogP0.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968609
4-propoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563620
3-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 81259552
4-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563394
4-(4-methoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977148
4-(2-methoxyethoxy)-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968401
N-methyl-4-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120721010
4-(4-methoxyphenoxy)-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979446
2-methoxy-5-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120721043
4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968466
2-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120720923
N-[(1-acetylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide
CID 110736220

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide (CID 80563364) is 4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCC2CCNC2)cc1.
What is the InChIKey of 4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide?
The InChIKey is BEXBNUNJUORHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-17-11-2-4-12(5-3-11)18(15,16)14-9-10-6-7-13-8-10/h2-5,10,13-14H,6-9H2,1H3.
What are the key properties of 4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide?
4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 80563364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).