4-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide

C12H17NO3S — CID 63858811

IUPAC4-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCC1CC1CN(C)S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C12H17NO3S/c1-9-7-10(9)8-13(2)17(15,16)12-5-3-11(14)4-6-12/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeyNLXCVQRFOKLGLF-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.67
Rot. Bonds4

About 4-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide

4-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 63858811) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
PubChem CID63858811
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name4-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCC1CC1CN(C)S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C12H17NO3S/c1-9-7-10(9)8-13(2)17(15,16)12-5-3-11(14)4-6-12/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeyNLXCVQRFOKLGLF-UHFFFAOYSA-N
XLogP1.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]benzene-1,4-disulfonamide
CID 63858844
N-methyl-4-(methylaminomethyl)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63860031
3-[4-[methyl-[(2-methylcyclopropyl)methyl]sulfamoyl]phenyl]propanoic acid
CID 63866568
2-[4-[methyl-[(2-methylcyclopropyl)methyl]sulfamoyl]phenoxy]acetic acid
CID 63865327
4-(3-aminoprop-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63860978
4-amino-3-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 82844261
3-(1-hydroxypropyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63858508
2-fluoro-5-[methyl-[(2-methylcyclopropyl)methyl]sulfamoyl]benzenecarbothioamide
CID 63865442
6-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 63859152
4-hydroxy-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 61435824
4-fluoro-3-(hydroxymethyl)-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 81435842
N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693045

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 4-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide (CID 63858811) is 4-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide is CC1CC1CN(C)S(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is NLXCVQRFOKLGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-9-7-10(9)8-13(2)17(15,16)12-5-3-11(14)4-6-12/h3-6,9-10,14H,7-8H2,1-2H3.
What are the key properties of 4-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
4-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 63858811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).