N-[cyclopropyl-(4-methylphenyl)methyl]-4-ethylbenzenesulfonamide

C19H23NO2S — CID 18131238

IUPACN-[cyclopropyl-(4-methylphenyl)methyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC(c2ccc(C)cc2)C2CC2)cc1
InChIInChI=1S/C19H23NO2S/c1-3-15-6-12-18(13-7-15)23(21,22)20-19(17-10-11-17)16-8-4-14(2)5-9-16/h4-9,12-13,17,19-20H,3,10-11H2,1-2H3
InChIKeySHFKRGVOFIYVQM-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.99
Rot. Bonds6

About N-[cyclopropyl-(4-methylphenyl)methyl]-4-ethylbenzenesulfonamide

N-[cyclopropyl-(4-methylphenyl)methyl]-4-ethylbenzenesulfonamide (PubChem CID 18131238) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylphenyl)methyl]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylphenyl)methyl]-4-ethylbenzenesulfonamide
PubChem CID18131238
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC NameN-[cyclopropyl-(4-methylphenyl)methyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC(c2ccc(C)cc2)C2CC2)cc1
InChIInChI=1S/C19H23NO2S/c1-3-15-6-12-18(13-7-15)23(21,22)20-19(17-10-11-17)16-8-4-14(2)5-9-16/h4-9,12-13,17,19-20H,3,10-11H2,1-2H3
InChIKeySHFKRGVOFIYVQM-UHFFFAOYSA-N
XLogP3.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclohexyl-(4-methylphenyl)methyl]benzenesulfonamide
CID 11393771
N'-(4-ethylphenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 9235680
N-[cyclopropyl-(4-methylphenyl)methyl]-2-oxochromene-6-sulfonamide
CID 24661787
1-cyclopentyl-1-(4-ethylphenyl)-N-methylmethanamine
CID 43484724
N-[cyclopropyl-(4-methylphenyl)methyl]-2-methyl-5-nitrobenzenesulfonamide
CID 42929072
N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine
CID 55185680
N-[2-benzoyl-1-(4-ethylphenyl)prop-2-enyl]-4-methylbenzenesulfonamide
CID 10927925
N-[(3-acetylphenyl)-cyclohexylmethyl]-4-methylbenzenesulfonamide
CID 134941304
4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
CID 73054079
4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 22200952
N-[cyclopropyl-(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 134018895
N-[1-(4-tert-butylphenyl)ethyl]-4-ethylbenzenesulfonamide
CID 22772310

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-4-ethylbenzenesulfonamide?
The IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-4-ethylbenzenesulfonamide (CID 18131238) is N-[cyclopropyl-(4-methylphenyl)methyl]-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-[cyclopropyl-(4-methylphenyl)methyl]-4-ethylbenzenesulfonamide?
The canonical SMILES for N-[cyclopropyl-(4-methylphenyl)methyl]-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)NC(c2ccc(C)cc2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methylphenyl)methyl]-4-ethylbenzenesulfonamide?
The InChIKey is SHFKRGVOFIYVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-3-15-6-12-18(13-7-15)23(21,22)20-19(17-10-11-17)16-8-4-14(2)5-9-16/h4-9,12-13,17,19-20H,3,10-11H2,1-2H3.
What are the key properties of N-[cyclopropyl-(4-methylphenyl)methyl]-4-ethylbenzenesulfonamide?
N-[cyclopropyl-(4-methylphenyl)methyl]-4-ethylbenzenesulfonamide has a molecular weight of 329.47 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylphenyl)methyl]-4-ethylbenzenesulfonamide is sourced from PubChem (CID 18131238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).