3-cyano-N-(cyclopropylmethyl)-4-(4-ethylphenyl)benzenesulfonamide

C19H20N2O2S — CID 162354189

IUPAC3-cyano-N-(cyclopropylmethyl)-4-(4-ethylphenyl)benzenesulfonamide
SMILESCCc1ccc(-c2ccc(S(=O)(=O)NCC3CC3)cc2C#N)cc1
InChIInChI=1S/C19H20N2O2S/c1-2-14-5-7-16(8-6-14)19-10-9-18(11-17(19)12-20)24(22,23)21-13-15-3-4-15/h5-11,15,21H,2-4,13H2,1H3
InChIKeyOTUNFVNSSKTAEH-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.48
Rot. Bonds6

About 3-cyano-N-(cyclopropylmethyl)-4-(4-ethylphenyl)benzenesulfonamide

3-cyano-N-(cyclopropylmethyl)-4-(4-ethylphenyl)benzenesulfonamide (PubChem CID 162354189) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 3-cyano-N-(cyclopropylmethyl)-4-(4-ethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(cyclopropylmethyl)-4-(4-ethylphenyl)benzenesulfonamide
PubChem CID162354189
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name3-cyano-N-(cyclopropylmethyl)-4-(4-ethylphenyl)benzenesulfonamide
SMILESCCc1ccc(-c2ccc(S(=O)(=O)NCC3CC3)cc2C#N)cc1
InChIInChI=1S/C19H20N2O2S/c1-2-14-5-7-16(8-6-14)19-10-9-18(11-17(19)12-20)24(22,23)21-13-15-3-4-15/h5-11,15,21H,2-4,13H2,1H3
InChIKeyOTUNFVNSSKTAEH-UHFFFAOYSA-N
XLogP3.48
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-4-ethylbenzenesulfonamide
CID 3776153
4-cyano-N-(cyclopentylmethyl)-3-methylbenzenesulfonamide
CID 106833028
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-4-ethylbenzenesulfonamide
CID 121108210
4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887425
N-(cyclopropylmethyl)-4-(4-prop-2-ynylphenyl)benzenesulfonamide
CID 162354184
4-ethyl-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 66006962
6-cyano-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide
CID 115602773
N-(cyclopropylmethyl)-3-(3-hydroxyprop-1-ynyl)-4-methoxybenzenesulfonamide
CID 60823808
2-N,7-N-bis(cyclopentylmethyl)-9-oxofluorene-2,7-disulfonamide
CID 172697362
2-N,7-N-bis(cyclohexylmethyl)-9-oxofluorene-2,7-disulfonamide
CID 136590042
3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide
CID 43370862
3-cyano-4-fluoro-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120720970

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(cyclopropylmethyl)-4-(4-ethylphenyl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(cyclopropylmethyl)-4-(4-ethylphenyl)benzenesulfonamide (CID 162354189) is 3-cyano-N-(cyclopropylmethyl)-4-(4-ethylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(cyclopropylmethyl)-4-(4-ethylphenyl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(cyclopropylmethyl)-4-(4-ethylphenyl)benzenesulfonamide is CCc1ccc(-c2ccc(S(=O)(=O)NCC3CC3)cc2C#N)cc1.
What is the InChIKey of 3-cyano-N-(cyclopropylmethyl)-4-(4-ethylphenyl)benzenesulfonamide?
The InChIKey is OTUNFVNSSKTAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-2-14-5-7-16(8-6-14)19-10-9-18(11-17(19)12-20)24(22,23)21-13-15-3-4-15/h5-11,15,21H,2-4,13H2,1H3.
What are the key properties of 3-cyano-N-(cyclopropylmethyl)-4-(4-ethylphenyl)benzenesulfonamide?
3-cyano-N-(cyclopropylmethyl)-4-(4-ethylphenyl)benzenesulfonamide has a molecular weight of 340.45 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(cyclopropylmethyl)-4-(4-ethylphenyl)benzenesulfonamide is sourced from PubChem (CID 162354189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).