[3-(methylamino)phenyl]methanesulfonamide

C8H12N2O2S — CID 71121973

IUPAC[3-(methylamino)phenyl]methanesulfonamide
SMILESCNc1cccc(CS(N)(=O)=O)c1
InChIInChI=1S/C8H12N2O2S/c1-10-8-4-2-3-7(5-8)6-13(9,11)12/h2-5,10H,6H2,1H3,(H2,9,11,12)
InChIKeyHXZPQEIQDNFXAG-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.52
Rot. Bonds3

About [3-(methylamino)phenyl]methanesulfonamide

[3-(methylamino)phenyl]methanesulfonamide (PubChem CID 71121973) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is [3-(methylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound Name[3-(methylamino)phenyl]methanesulfonamide
PubChem CID71121973
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name[3-(methylamino)phenyl]methanesulfonamide
SMILESCNc1cccc(CS(N)(=O)=O)c1
InChIInChI=1S/C8H12N2O2S/c1-10-8-4-2-3-7(5-8)6-13(9,11)12/h2-5,10H,6H2,1H3,(H2,9,11,12)
InChIKeyHXZPQEIQDNFXAG-UHFFFAOYSA-N
XLogP0.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 51097761
3-methyl-N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 51097762
(3-tert-butylphenyl)methanesulfonamide
CID 58532418
3-(bromomethyl)-N-methylaniline
CID 147410245
[3-(2-amino-5-chloroanilino)phenyl]methanesulfonamide
CID 176707049
O-[[3-(methylamino)phenyl]methyl]hydroxylamine
CID 143975046
3-(aminomethyl)-N-methylaniline;ethane;molecular hydrogen
CID 144618265
5-ethyl-N-[3-(sulfamoylmethyl)phenyl]furan-2-carboxamide
CID 60610670
N-[3-(sulfamoylmethyl)phenyl]thiophene-2-carboxamide
CID 86865208
1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide
CID 119308071
3-(methoxymethyl)-N-methylaniline
CID 23080905
1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119308070

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)phenyl]methanesulfonamide?
The IUPAC name of [3-(methylamino)phenyl]methanesulfonamide (CID 71121973) is [3-(methylamino)phenyl]methanesulfonamide.
What is the SMILES notation for [3-(methylamino)phenyl]methanesulfonamide?
The canonical SMILES for [3-(methylamino)phenyl]methanesulfonamide is CNc1cccc(CS(N)(=O)=O)c1.
What is the InChIKey of [3-(methylamino)phenyl]methanesulfonamide?
The InChIKey is HXZPQEIQDNFXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-10-8-4-2-3-7(5-8)6-13(9,11)12/h2-5,10H,6H2,1H3,(H2,9,11,12).
What are the key properties of [3-(methylamino)phenyl]methanesulfonamide?
[3-(methylamino)phenyl]methanesulfonamide has a molecular weight of 200.26 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 71121973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).