1-cyano-N-methyl-N-phenylmethanesulfonamide

C9H10N2O2S — CID 60711469

IUPAC1-cyano-N-methyl-N-phenylmethanesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)CC#N
InChIInChI=1S/C9H10N2O2S/c1-11(14(12,13)8-7-10)9-5-3-2-4-6-9/h2-6H,8H2,1H3
InChIKeyBBIKURHPQFXFPX-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.98
Rot. Bonds3

About 1-cyano-N-methyl-N-phenylmethanesulfonamide

1-cyano-N-methyl-N-phenylmethanesulfonamide (PubChem CID 60711469) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 1-cyano-N-methyl-N-phenylmethanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-methyl-N-phenylmethanesulfonamide
PubChem CID60711469
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name1-cyano-N-methyl-N-phenylmethanesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)CC#N
InChIInChI=1S/C9H10N2O2S/c1-11(14(12,13)8-7-10)9-5-3-2-4-6-9/h2-6H,8H2,1H3
InChIKeyBBIKURHPQFXFPX-UHFFFAOYSA-N
XLogP0.98
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-phenylpropane-1-sulfonamide
CID 54465644
2-[methyl(phenyl)sulfamoyl]acetic acid
CID 28773465
1-cyano-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 55208495
3-chloro-N,2-dimethyl-N-phenylpropane-1-sulfonamide
CID 79580450
2-methyl-3-[methyl(phenyl)sulfamoyl]propanoic acid
CID 18522092
2-cyano-N-methyl-N-phenylbenzenesulfonamide
CID 24701852
1-cyano-N-methyl-N-(2-pyridin-2-ylethyl)methanesulfonamide
CID 60677937
sodium N-methyl-N-phenylsulfamate
CID 23690703
1-[3-(aminomethyl)phenyl]-N-methyl-N-phenylmethanesulfonamide
CID 60979524
N-methyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54973831
4-cyano-N-ethyl-N-phenylbutane-1-sulfonamide
CID 28704824
N-benzyl-N-methyl-3-[methyl(phenyl)sulfamoyl]propanamide
CID 110342924

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-methyl-N-phenylmethanesulfonamide?
The IUPAC name of 1-cyano-N-methyl-N-phenylmethanesulfonamide (CID 60711469) is 1-cyano-N-methyl-N-phenylmethanesulfonamide.
What is the SMILES notation for 1-cyano-N-methyl-N-phenylmethanesulfonamide?
The canonical SMILES for 1-cyano-N-methyl-N-phenylmethanesulfonamide is CN(c1ccccc1)S(=O)(=O)CC#N.
What is the InChIKey of 1-cyano-N-methyl-N-phenylmethanesulfonamide?
The InChIKey is BBIKURHPQFXFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-11(14(12,13)8-7-10)9-5-3-2-4-6-9/h2-6H,8H2,1H3.
What are the key properties of 1-cyano-N-methyl-N-phenylmethanesulfonamide?
1-cyano-N-methyl-N-phenylmethanesulfonamide has a molecular weight of 210.26 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-methyl-N-phenylmethanesulfonamide is sourced from PubChem (CID 60711469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).