N-methyl-N-phenylmethanesulfonamide

C8H11NO2S — CID 733944

IUPACN-methyl-N-phenylmethanesulfonamide
SMILESCN(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C8H11NO2S/c1-9(12(2,10)11)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyGVUINMQKMBASGD-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.08
Rot. Bonds2

About N-methyl-N-phenylmethanesulfonamide

N-methyl-N-phenylmethanesulfonamide (PubChem CID 733944) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is N-methyl-N-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-phenylmethanesulfonamide
PubChem CID733944
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC NameN-methyl-N-phenylmethanesulfonamide
SMILESCN(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C8H11NO2S/c1-9(12(2,10)11)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyGVUINMQKMBASGD-UHFFFAOYSA-N
XLogP1.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Dimethylaniline
CID 949
Fenaminosulf
CID 23668198
Trimethylphenylammonium iodide
CID 94135
Sulfamide, N,N-dimethyl-N'-phenyl-
CID 78441
Phenyltrimethylammonium chloride
CID 67309
Trimethylphenylammonium hydroxide
CID 15913
Phenyltrimethylammonium bromide
CID 27663
Sodium anilinomethanesulfonate
CID 23680200
N-Phenyltaurine
CID 446854
Methanesulfonamide, N-phenyl-
CID 70970
Thiomorpholine, 4-phenyl-, 1,1-dioxide
CID 87241
Phenyltrimethylammonium methosulfate
CID 5284510

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenylmethanesulfonamide?
The IUPAC name of N-methyl-N-phenylmethanesulfonamide (CID 733944) is N-methyl-N-phenylmethanesulfonamide.
What is the SMILES notation for N-methyl-N-phenylmethanesulfonamide?
The canonical SMILES for N-methyl-N-phenylmethanesulfonamide is CN(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-phenylmethanesulfonamide?
The InChIKey is GVUINMQKMBASGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-9(12(2,10)11)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of N-methyl-N-phenylmethanesulfonamide?
N-methyl-N-phenylmethanesulfonamide has a molecular weight of 185.25 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenylmethanesulfonamide is sourced from PubChem (CID 733944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).