N-(cyanomethyl)-N-(3,4-dichlorophenyl)methanesulfonamide

C9H8Cl2N2O2S — CID 20524760

IUPACN-(cyanomethyl)-N-(3,4-dichlorophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC#N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H8Cl2N2O2S/c1-16(14,15)13(5-4-12)7-2-3-8(10)9(11)6-7/h2-3,6H,5H2,1H3
InChIKeyVHFSGMGDYIUTDX-UHFFFAOYSA-N
MW279.15 g/mol
LogP2.28
Rot. Bonds3

About N-(cyanomethyl)-N-(3,4-dichlorophenyl)methanesulfonamide

N-(cyanomethyl)-N-(3,4-dichlorophenyl)methanesulfonamide (PubChem CID 20524760) has the molecular formula C9H8Cl2N2O2S and a molecular weight of 279.15 g/mol. Its IUPAC name is N-(cyanomethyl)-N-(3,4-dichlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-(3,4-dichlorophenyl)methanesulfonamide
PubChem CID20524760
Molecular FormulaC9H8Cl2N2O2S
Molecular Weight279.15 g/mol
Exact Mass277.97
IUPAC NameN-(cyanomethyl)-N-(3,4-dichlorophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC#N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H8Cl2N2O2S/c1-16(14,15)13(5-4-12)7-2-3-8(10)9(11)6-7/h2-3,6H,5H2,1H3
InChIKeyVHFSGMGDYIUTDX-UHFFFAOYSA-N
XLogP2.28
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.15
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dichloro-N-methylsulfonylanilino)-N-methylacetamide
CID 806054
2-(3,4-dichloro-N-methylsulfonylanilino)-N,N-diethylacetamide
CID 113156868
N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]acetamide
CID 113071916
N-(3,4-dichlorophenyl)-N-methylsulfonylpropanamide
CID 124927747
N-(3-chloro-4-fluorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 1290563
N-[(2R)-butan-2-yl]-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 2286726
N-[4-(benzylamino)phenyl]-N-(cyanomethyl)methanesulfonamide
CID 90794689
3,4-dichloro-N,N-bis(cyanomethyl)benzamide
CID 5018129
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 1315632
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 22193681
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 2290634
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 1321675

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-(3,4-dichlorophenyl)methanesulfonamide?
The IUPAC name of N-(cyanomethyl)-N-(3,4-dichlorophenyl)methanesulfonamide (CID 20524760) is N-(cyanomethyl)-N-(3,4-dichlorophenyl)methanesulfonamide.
What is the SMILES notation for N-(cyanomethyl)-N-(3,4-dichlorophenyl)methanesulfonamide?
The canonical SMILES for N-(cyanomethyl)-N-(3,4-dichlorophenyl)methanesulfonamide is CS(=O)(=O)N(CC#N)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(cyanomethyl)-N-(3,4-dichlorophenyl)methanesulfonamide?
The InChIKey is VHFSGMGDYIUTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2O2S/c1-16(14,15)13(5-4-12)7-2-3-8(10)9(11)6-7/h2-3,6H,5H2,1H3.
What are the key properties of N-(cyanomethyl)-N-(3,4-dichlorophenyl)methanesulfonamide?
N-(cyanomethyl)-N-(3,4-dichlorophenyl)methanesulfonamide has a molecular weight of 279.15 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-(3,4-dichlorophenyl)methanesulfonamide is sourced from PubChem (CID 20524760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).