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

C18H21NO2S2 — CID 11544772

IUPAC4-methyl-N-[(1R,2R)-2-phenylsulfanylcyclopentyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2Sc2ccccc2)cc1
InChIInChI=1S/C18H21NO2S2/c1-14-10-12-16(13-11-14)23(20,21)19-17-8-5-9-18(17)22-15-6-3-2-4-7-15/h2-4,6-7,10-13,17-19H,5,8-9H2,1H3/t17-,18-/m1/s1
InChIKeyOFAZAXMVTDKVDV-QZTJIDSGSA-N
MW347.51 g/mol
LogP3.99
Rot. Bonds5

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

4-methyl-N-[(1R,2R)-2-phenylsulfanylcyclopentyl]benzenesulfonamide (PubChem CID 11544772) has the molecular formula C18H21NO2S2 and a molecular weight of 347.51 g/mol. Its IUPAC name is 4-methyl-N-[(1R,2R)-2-phenylsulfanylcyclopentyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1R,2R)-2-phenylsulfanylcyclopentyl]benzenesulfonamide
PubChem CID11544772
Molecular FormulaC18H21NO2S2
Molecular Weight347.51 g/mol
Exact Mass347.10
IUPAC Name4-methyl-N-[(1R,2R)-2-phenylsulfanylcyclopentyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2Sc2ccccc2)cc1
InChIInChI=1S/C18H21NO2S2/c1-14-10-12-16(13-11-14)23(20,21)19-17-8-5-9-18(17)22-15-6-3-2-4-7-15/h2-4,6-7,10-13,17-19H,5,8-9H2,1H3/t17-,18-/m1/s1
InChIKeyOFAZAXMVTDKVDV-QZTJIDSGSA-N
XLogP3.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-phenylsulfanylcyclohexyl)benzenesulfonamide
CID 2975041
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-[(4-methylphenyl)methylsulfanyl]cyclohexyl]benzenesulfonamide
CID 11014616
4-methyl-N-[(1R,2R)-2-(N-methylanilino)cyclopentyl]benzenesulfonamide
CID 11405210
4-methyl-N-[(1R,2R)-2-sulfanylcyclohexyl]benzenesulfonamide
CID 25140124
N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium
CID 87792352
4-chloro-N-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]benzenesulfonamide
CID 2198514
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
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R,2R)-2-phenylsulfanylcyclopentyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1R,2R)-2-phenylsulfanylcyclopentyl]benzenesulfonamide (CID 11544772) is 4-methyl-N-[(1R,2R)-2-phenylsulfanylcyclopentyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1R,2R)-2-phenylsulfanylcyclopentyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1R,2R)-2-phenylsulfanylcyclopentyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2Sc2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[(1R,2R)-2-phenylsulfanylcyclopentyl]benzenesulfonamide?
The InChIKey is OFAZAXMVTDKVDV-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H21NO2S2/c1-14-10-12-16(13-11-14)23(20,21)19-17-8-5-9-18(17)22-15-6-3-2-4-7-15/h2-4,6-7,10-13,17-19H,5,8-9H2,1H3/t17-,18-/m1/s1.
What are the key properties of 4-methyl-N-[(1R,2R)-2-phenylsulfanylcyclopentyl]benzenesulfonamide?
4-methyl-N-[(1R,2R)-2-phenylsulfanylcyclopentyl]benzenesulfonamide has a molecular weight of 347.51 g/mol, XLogP of 3.99, 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-phenylsulfanylcyclopentyl]benzenesulfonamide is sourced from PubChem (CID 11544772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).