1-(3-hydroxyphenyl)-N-methylmethanesulfonamide

C8H11NO3S — CID 170337441

IUPAC1-(3-hydroxyphenyl)-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1cccc(O)c1
InChIInChI=1S/C8H11NO3S/c1-9-13(11,12)6-7-3-2-4-8(10)5-7/h2-5,9-10H,6H2,1H3
InChIKeyCXCFRSHRNAUUOP-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.44
Rot. Bonds3

About 1-(3-hydroxyphenyl)-N-methylmethanesulfonamide

1-(3-hydroxyphenyl)-N-methylmethanesulfonamide (PubChem CID 170337441) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-N-methylmethanesulfonamide
PubChem CID170337441
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name1-(3-hydroxyphenyl)-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1cccc(O)c1
InChIInChI=1S/C8H11NO3S/c1-9-13(11,12)6-7-3-2-4-8(10)5-7/h2-5,9-10H,6H2,1H3
InChIKeyCXCFRSHRNAUUOP-UHFFFAOYSA-N
XLogP0.44
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide
CID 47002560
1-[3-(methanesulfonamidomethyl)phenyl]-N-methylmethanesulfonamide
CID 49245759
N-[2-(3-hydroxyphenyl)ethyl]ethanesulfonamide
CID 52911551
3-[(3-amino-2-methylpropyl)sulfonylmethyl]phenol
CID 81196409
N-[3-(3-hydroxyphenyl)propyl]ethanesulfonamide
CID 110667285
N-[2-(3-hydroxyphenyl)ethyl]methanesulfonamide
CID 52911550
3-hydroxy-N-methylbenzenesulfonamide
CID 20621554
1-[(dimethylsulfamoylamino)methyl]-3-hydroxybenzene
CID 61018712
4-methylbenzenesulfonic acid;N-methyl-1-(3-nitrophenyl)methanesulfonamide
CID 174190837
3-(3-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonyl fluoride
CID 115045835
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide
CID 119973006
1-[4-(difluoromethyl)phenyl]-N-methylmethanesulfonamide
CID 126637013

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-N-methylmethanesulfonamide?
The IUPAC name of 1-(3-hydroxyphenyl)-N-methylmethanesulfonamide (CID 170337441) is 1-(3-hydroxyphenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(3-hydroxyphenyl)-N-methylmethanesulfonamide?
The canonical SMILES for 1-(3-hydroxyphenyl)-N-methylmethanesulfonamide is CNS(=O)(=O)Cc1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-N-methylmethanesulfonamide?
The InChIKey is CXCFRSHRNAUUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-9-13(11,12)6-7-3-2-4-8(10)5-7/h2-5,9-10H,6H2,1H3.
What are the key properties of 1-(3-hydroxyphenyl)-N-methylmethanesulfonamide?
1-(3-hydroxyphenyl)-N-methylmethanesulfonamide has a molecular weight of 201.25 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 170337441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).