4-cyano-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]benzenesulfonamide

C18H21N3O2S — CID 60602522

IUPAC4-cyano-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(CNS(=O)(=O)c2ccc(C#N)cc2)N(C)C)cc1
InChIInChI=1S/C18H21N3O2S/c1-14-4-8-16(9-5-14)18(21(2)3)13-20-24(22,23)17-10-6-15(12-19)7-11-17/h4-11,18,20H,13H2,1-3H3
InChIKeySNVRYNGYADQIRI-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.45
Rot. Bonds6

About 4-cyano-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]benzenesulfonamide

4-cyano-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]benzenesulfonamide (PubChem CID 60602522) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-cyano-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]benzenesulfonamide
PubChem CID60602522
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name4-cyano-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(CNS(=O)(=O)c2ccc(C#N)cc2)N(C)C)cc1
InChIInChI=1S/C18H21N3O2S/c1-14-4-8-16(9-5-14)18(21(2)3)13-20-24(22,23)17-10-6-15(12-19)7-11-17/h4-11,18,20H,13H2,1-3H3
InChIKeySNVRYNGYADQIRI-UHFFFAOYSA-N
XLogP2.45
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 45003216
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 975376
N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 8500681
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 47006075
1-(4-cyanophenyl)-3-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea
CID 52504835
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-fluorobenzenesulfonamide
CID 20962685
N-[(2S)-2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 166440574
N-[3-(4-cyanophenoxy)propyl]-4-methylbenzenesulfonamide
CID 177415345
4-cyano-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]benzenesulfonamide
CID 60602634
N-[2,2-bis[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 175193129
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005061
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 51169696

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]benzenesulfonamide (CID 60602522) is 4-cyano-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]benzenesulfonamide is Cc1ccc(C(CNS(=O)(=O)c2ccc(C#N)cc2)N(C)C)cc1.
What is the InChIKey of 4-cyano-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]benzenesulfonamide?
The InChIKey is SNVRYNGYADQIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-14-4-8-16(9-5-14)18(21(2)3)13-20-24(22,23)17-10-6-15(12-19)7-11-17/h4-11,18,20H,13H2,1-3H3.
What are the key properties of 4-cyano-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]benzenesulfonamide?
4-cyano-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]benzenesulfonamide has a molecular weight of 343.45 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 60602522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).