1-cyclopropyl-N-(3,4-dicyanophenyl)methanesulfonamide

C12H11N3O2S — CID 114002396

IUPAC1-cyclopropyl-N-(3,4-dicyanophenyl)methanesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)CC2CC2)cc1C#N
InChIInChI=1S/C12H11N3O2S/c13-6-10-3-4-12(5-11(10)7-14)15-18(16,17)8-9-1-2-9/h3-5,9,15H,1-2,8H2
InChIKeyBCMGSBAMVISSRX-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.58
Rot. Bonds4

About 1-cyclopropyl-N-(3,4-dicyanophenyl)methanesulfonamide

1-cyclopropyl-N-(3,4-dicyanophenyl)methanesulfonamide (PubChem CID 114002396) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 1-cyclopropyl-N-(3,4-dicyanophenyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(3,4-dicyanophenyl)methanesulfonamide
PubChem CID114002396
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name1-cyclopropyl-N-(3,4-dicyanophenyl)methanesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)CC2CC2)cc1C#N
InChIInChI=1S/C12H11N3O2S/c13-6-10-3-4-12(5-11(10)7-14)15-18(16,17)8-9-1-2-9/h3-5,9,15H,1-2,8H2
InChIKeyBCMGSBAMVISSRX-UHFFFAOYSA-N
XLogP1.58
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-cyano-3-(trifluoromethyl)phenyl]-1-cyclopropylmethanesulfonamide
CID 65484374
N-(3,4-dicyanophenyl)-3-methylbutane-1-sulfonamide
CID 107796552
3-[(3,4-dicyanophenyl)sulfamoyl]propanoic acid
CID 114001558
N-[4-(bromomethyl)phenyl]-1-cyclopropylmethanesulfonamide
CID 114296744
5-(cyclopropylmethylsulfonylamino)-2-methoxybenzenesulfonamide
CID 64987778
N-(3,4-dicyanophenyl)benzenesulfonamide
CID 113220864
N-(2-bromo-4-cyanophenyl)-1-cyclopropylmethanesulfonamide
CID 107796761
N-(cyclopropylmethyl)-2-(3,4-dicyanoanilino)acetamide
CID 67011238
1-chloro-N-(3-chloro-4-cyanophenyl)methanesulfonamide
CID 63664296
4-(cyclopropylmethylsulfonylamino)benzenecarboximidamide
CID 64989100
3-[5-(cyclopropylmethylsulfonylamino)-2-methylphenyl]prop-2-enoic acid
CID 77052514
N-(3-amino-4-bromophenyl)-1-cyclohexylmethanesulfonamide
CID 79767508

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(3,4-dicyanophenyl)methanesulfonamide?
The IUPAC name of 1-cyclopropyl-N-(3,4-dicyanophenyl)methanesulfonamide (CID 114002396) is 1-cyclopropyl-N-(3,4-dicyanophenyl)methanesulfonamide.
What is the SMILES notation for 1-cyclopropyl-N-(3,4-dicyanophenyl)methanesulfonamide?
The canonical SMILES for 1-cyclopropyl-N-(3,4-dicyanophenyl)methanesulfonamide is N#Cc1ccc(NS(=O)(=O)CC2CC2)cc1C#N.
What is the InChIKey of 1-cyclopropyl-N-(3,4-dicyanophenyl)methanesulfonamide?
The InChIKey is BCMGSBAMVISSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c13-6-10-3-4-12(5-11(10)7-14)15-18(16,17)8-9-1-2-9/h3-5,9,15H,1-2,8H2.
What are the key properties of 1-cyclopropyl-N-(3,4-dicyanophenyl)methanesulfonamide?
1-cyclopropyl-N-(3,4-dicyanophenyl)methanesulfonamide has a molecular weight of 261.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(3,4-dicyanophenyl)methanesulfonamide is sourced from PubChem (CID 114002396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).