4-methyl-N-[(1R,2R)-2-(N-methylanilino)cyclopentyl]benzenesulfonamide

C19H24N2O2S — CID 11405210

IUPAC4-methyl-N-[(1R,2R)-2-(N-methylanilino)cyclopentyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2N(C)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O2S/c1-15-11-13-17(14-12-15)24(22,23)20-18-9-6-10-19(18)21(2)16-7-4-3-5-8-16/h3-5,7-8,11-14,18-20H,6,9-10H2,1-2H3/t18-,19-/m1/s1
InChIKeyKFFWEFOPOZHVAO-RTBURBONSA-N
MW344.48 g/mol
LogP3.33
Rot. Bonds5

About 4-methyl-N-[(1R,2R)-2-(N-methylanilino)cyclopentyl]benzenesulfonamide

4-methyl-N-[(1R,2R)-2-(N-methylanilino)cyclopentyl]benzenesulfonamide (PubChem CID 11405210) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 4-methyl-N-[(1R,2R)-2-(N-methylanilino)cyclopentyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1R,2R)-2-(N-methylanilino)cyclopentyl]benzenesulfonamide
PubChem CID11405210
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name4-methyl-N-[(1R,2R)-2-(N-methylanilino)cyclopentyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2N(C)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O2S/c1-15-11-13-17(14-12-15)24(22,23)20-18-9-6-10-19(18)21(2)16-7-4-3-5-8-16/h3-5,7-8,11-14,18-20H,6,9-10H2,1-2H3/t18-,19-/m1/s1
InChIKeyKFFWEFOPOZHVAO-RTBURBONSA-N
XLogP3.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N,4-dimethylanilino)cyclohexyl]benzenesulfonamide
CID 23604948
4-chloro-N-[(1R,2R)-2-(N,3-dimethylanilino)cyclohexyl]benzenesulfonamide
CID 98467664
4-methyl-N-[(1R,2R)-2-(4-methylphenyl)sulfonylcyclohexyl]benzenesulfonamide
CID 25015867
N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
CID 11230584
N-[(1R,2R)-2-(4-methylanilino)cyclohexyl]benzenesulfonamide
CID 1121471
4-methyl-N-[(1R,2R)-2-phenylsulfanylcyclopentyl]benzenesulfonamide
CID 11544772
N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium
CID 87792352
N-[(1S,2S)-2-[bis(prop-2-enyl)amino]cyclohexyl]-4-methylbenzenesulfonamide
CID 101206913
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-4-methylbenzenesulfonamide
CID 5247563
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide
CID 7728447
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-4-methylbenzenesulfonamide
CID 110125809
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R,2R)-2-(N-methylanilino)cyclopentyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1R,2R)-2-(N-methylanilino)cyclopentyl]benzenesulfonamide (CID 11405210) is 4-methyl-N-[(1R,2R)-2-(N-methylanilino)cyclopentyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1R,2R)-2-(N-methylanilino)cyclopentyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1R,2R)-2-(N-methylanilino)cyclopentyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2N(C)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[(1R,2R)-2-(N-methylanilino)cyclopentyl]benzenesulfonamide?
The InChIKey is KFFWEFOPOZHVAO-RTBURBONSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-15-11-13-17(14-12-15)24(22,23)20-18-9-6-10-19(18)21(2)16-7-4-3-5-8-16/h3-5,7-8,11-14,18-20H,6,9-10H2,1-2H3/t18-,19-/m1/s1.
What are the key properties of 4-methyl-N-[(1R,2R)-2-(N-methylanilino)cyclopentyl]benzenesulfonamide?
4-methyl-N-[(1R,2R)-2-(N-methylanilino)cyclopentyl]benzenesulfonamide has a molecular weight of 344.48 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1R,2R)-2-(N-methylanilino)cyclopentyl]benzenesulfonamide is sourced from PubChem (CID 11405210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).