N-(3-cyanophenyl)-N-methyl-2-(methylamino)benzenesulfonamide

C15H15N3O2S — CID 62969702

IUPACN-(3-cyanophenyl)-N-methyl-2-(methylamino)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)N(C)c1cccc(C#N)c1
InChIInChI=1S/C15H15N3O2S/c1-17-14-8-3-4-9-15(14)21(19,20)18(2)13-7-5-6-12(10-13)11-16/h3-10,17H,1-2H3
InChIKeyQGMIXONBUDXMNQ-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.43
Rot. Bonds4

About N-(3-cyanophenyl)-N-methyl-2-(methylamino)benzenesulfonamide

N-(3-cyanophenyl)-N-methyl-2-(methylamino)benzenesulfonamide (PubChem CID 62969702) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(3-cyanophenyl)-N-methyl-2-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-N-methyl-2-(methylamino)benzenesulfonamide
PubChem CID62969702
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(3-cyanophenyl)-N-methyl-2-(methylamino)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)N(C)c1cccc(C#N)c1
InChIInChI=1S/C15H15N3O2S/c1-17-14-8-3-4-9-15(14)21(19,20)18(2)13-7-5-6-12(10-13)11-16/h3-10,17H,1-2H3
InChIKeyQGMIXONBUDXMNQ-UHFFFAOYSA-N
XLogP2.43
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-3-[methyl(methylsulfamoyl)amino]benzene
CID 114807862
methyl 2-[(3-cyanophenyl)-methylsulfamoyl]-6-methylbenzoate
CID 49189851
2-amino-N-(3-cyanophenyl)-5-fluoro-N-methylbenzenesulfonamide
CID 62982457
N-(3-cyanophenyl)-2-hydrazinyl-N-methylpyridine-4-sulfonamide
CID 62982874
N-(3-cyanophenyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide
CID 63000402
2-cyano-N-methyl-N-phenylbenzenesulfonamide
CID 24701852
3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide
CID 62982247
2-cyano-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide
CID 62004336
methyl 4-[(3-cyanophenyl)-methylsulfamoyl]butanoate
CID 62980861
3-[methyl(methylsulfanyl)amino]benzonitrile
CID 146320456
2-cyano-N-(3,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide
CID 56806552
2-chloro-4-cyano-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
CID 103988558

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-N-methyl-2-(methylamino)benzenesulfonamide?
The IUPAC name of N-(3-cyanophenyl)-N-methyl-2-(methylamino)benzenesulfonamide (CID 62969702) is N-(3-cyanophenyl)-N-methyl-2-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-(3-cyanophenyl)-N-methyl-2-(methylamino)benzenesulfonamide?
The canonical SMILES for N-(3-cyanophenyl)-N-methyl-2-(methylamino)benzenesulfonamide is CNc1ccccc1S(=O)(=O)N(C)c1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-N-methyl-2-(methylamino)benzenesulfonamide?
The InChIKey is QGMIXONBUDXMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-17-14-8-3-4-9-15(14)21(19,20)18(2)13-7-5-6-12(10-13)11-16/h3-10,17H,1-2H3.
What are the key properties of N-(3-cyanophenyl)-N-methyl-2-(methylamino)benzenesulfonamide?
N-(3-cyanophenyl)-N-methyl-2-(methylamino)benzenesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-N-methyl-2-(methylamino)benzenesulfonamide is sourced from PubChem (CID 62969702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).