4-hydroxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide

C12H18N2O3S — CID 60854923

IUPAC4-hydroxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
SMILESCN1CCC(CNS(=O)(=O)c2ccc(O)cc2)C1
InChIInChI=1S/C12H18N2O3S/c1-14-7-6-10(9-14)8-13-18(16,17)12-4-2-11(15)3-5-12/h2-5,10,13,15H,6-9H2,1H3
InChIKeyZHVLNEASMACPPX-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.62
Rot. Bonds4

About 4-hydroxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide

4-hydroxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide (PubChem CID 60854923) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-hydroxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
PubChem CID60854923
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-hydroxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
SMILESCN1CCC(CNS(=O)(=O)c2ccc(O)cc2)C1
InChIInChI=1S/C12H18N2O3S/c1-14-7-6-10(9-14)8-13-18(16,17)12-4-2-11(15)3-5-12/h2-5,10,13,15H,6-9H2,1H3
InChIKeyZHVLNEASMACPPX-UHFFFAOYSA-N
XLogP0.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(1-methylpyrrolidin-3-yl)methylsulfamoyl]phenyl]ethanethioamide
CID 79185810
4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887423
4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887425
3-amino-4-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 54927593
3-amino-4-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60857223
N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110736321
N-methyl-4-[(1-methylpyrrolidin-3-yl)methylamino]benzenesulfonamide
CID 60857439
2-methyl-N-[4-[(1-methylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide
CID 16887477
N-[(1-methylpyrrolidin-3-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 71230828
3,4-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887427
5-amino-2-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60855213
6-amino-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide
CID 62156782

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-hydroxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide (CID 60854923) is 4-hydroxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-hydroxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-hydroxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide is CN1CCC(CNS(=O)(=O)c2ccc(O)cc2)C1.
What is the InChIKey of 4-hydroxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The InChIKey is ZHVLNEASMACPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-14-7-6-10(9-14)8-13-18(16,17)12-4-2-11(15)3-5-12/h2-5,10,13,15H,6-9H2,1H3.
What are the key properties of 4-hydroxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide?
4-hydroxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 60854923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).