2-amino-4-cyano-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide

C12H15N3O2S — CID 64900648

IUPAC2-amino-4-cyano-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
SMILESCN(CC1CC1)S(=O)(=O)c1ccc(C#N)cc1N
InChIInChI=1S/C12H15N3O2S/c1-15(8-9-2-3-9)18(16,17)12-5-4-10(7-13)6-11(12)14/h4-6,9H,2-3,8,14H2,1H3
InChIKeyVAFNQCRNNMNHIJ-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.17
Rot. Bonds4

About 2-amino-4-cyano-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide

2-amino-4-cyano-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide (PubChem CID 64900648) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-amino-4-cyano-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-cyano-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
PubChem CID64900648
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name2-amino-4-cyano-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
SMILESCN(CC1CC1)S(=O)(=O)c1ccc(C#N)cc1N
InChIInChI=1S/C12H15N3O2S/c1-15(8-9-2-3-9)18(16,17)12-5-4-10(7-13)6-11(12)14/h4-6,9H,2-3,8,14H2,1H3
InChIKeyVAFNQCRNNMNHIJ-UHFFFAOYSA-N
XLogP1.17
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyano-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-4-cyano-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide (CID 64900648) is 2-amino-4-cyano-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-cyano-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-cyano-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide is CN(CC1CC1)S(=O)(=O)c1ccc(C#N)cc1N.
What is the InChIKey of 2-amino-4-cyano-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide?
The InChIKey is VAFNQCRNNMNHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-15(8-9-2-3-9)18(16,17)12-5-4-10(7-13)6-11(12)14/h4-6,9H,2-3,8,14H2,1H3.
What are the key properties of 2-amino-4-cyano-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide?
2-amino-4-cyano-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide has a molecular weight of 265.34 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyano-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 64900648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).