4-methyl-N-[(1R)-2-methyl-1H-cyclopenta[a]naphthalen-1-yl]benzenesulfonamide

C21H19NO2S — CID 139184409

IUPAC4-methyl-N-[(1R)-2-methyl-1H-cyclopenta[a]naphthalen-1-yl]benzenesulfonamide
SMILESCC1=Cc2ccc3ccccc3c2[C@@H]1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H19NO2S/c1-14-7-11-18(12-8-14)25(23,24)22-21-15(2)13-17-10-9-16-5-3-4-6-19(16)20(17)21/h3-13,21-22H,1-2H3/t21-/m1/s1
InChIKeyRLINWUDMDIDNIE-OAQYLSRUSA-N
MW349.46 g/mol
LogP4.58
Rot. Bonds3

About 4-methyl-N-[(1R)-2-methyl-1H-cyclopenta[a]naphthalen-1-yl]benzenesulfonamide

4-methyl-N-[(1R)-2-methyl-1H-cyclopenta[a]naphthalen-1-yl]benzenesulfonamide (PubChem CID 139184409) has the molecular formula C21H19NO2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 4-methyl-N-[(1R)-2-methyl-1H-cyclopenta[a]naphthalen-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1R)-2-methyl-1H-cyclopenta[a]naphthalen-1-yl]benzenesulfonamide
PubChem CID139184409
Molecular FormulaC21H19NO2S
Molecular Weight349.46 g/mol
Exact Mass349.11
IUPAC Name4-methyl-N-[(1R)-2-methyl-1H-cyclopenta[a]naphthalen-1-yl]benzenesulfonamide
SMILESCC1=Cc2ccc3ccccc3c2[C@@H]1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H19NO2S/c1-14-7-11-18(12-8-14)25(23,24)22-21-15(2)13-17-10-9-16-5-3-4-6-19(16)20(17)21/h3-13,21-22H,1-2H3/t21-/m1/s1
InChIKeyRLINWUDMDIDNIE-OAQYLSRUSA-N
XLogP4.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[(1R)-2-methyl-1H-inden-1-yl]benzenesulfonamide
CID 135033857
N-(7H-benzo[c]xanthen-7-yl)-4-methylbenzenesulfonamide
CID 102105080
4-methyl-N-(2-phenyl-1H-inden-1-yl)benzenesulfonamide
CID 102141019
methyl 1-[(4-methylphenyl)sulfonylamino]naphthalene-2-carboxylate
CID 169372846
N-(1-isoquinolin-1-ylnaphthalen-2-yl)-4-methylbenzenesulfonamide
CID 72724173
[(4-methylphenyl)sulfonylamino] naphthalene-1-carboxylate
CID 174784380
4-methyl-N-(3-naphthalen-2-yl-4,5-dihydro-1,2-oxazol-5-yl)benzenesulfonamide
CID 166063622
4-methyl-N-[2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 101406239
N-[(1S,2R)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,2-dihydroacenaphthylen-1-yl]-4-methylbenzenesulfonamide
CID 2345235
CID 87933524
CID 87933524
N-[(1R,2R)-2-(4-methylanilino)cyclohexyl]benzenesulfonamide
CID 1121471
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R)-2-methyl-1H-cyclopenta[a]naphthalen-1-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1R)-2-methyl-1H-cyclopenta[a]naphthalen-1-yl]benzenesulfonamide (CID 139184409) is 4-methyl-N-[(1R)-2-methyl-1H-cyclopenta[a]naphthalen-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1R)-2-methyl-1H-cyclopenta[a]naphthalen-1-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1R)-2-methyl-1H-cyclopenta[a]naphthalen-1-yl]benzenesulfonamide is CC1=Cc2ccc3ccccc3c2[C@@H]1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[(1R)-2-methyl-1H-cyclopenta[a]naphthalen-1-yl]benzenesulfonamide?
The InChIKey is RLINWUDMDIDNIE-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H19NO2S/c1-14-7-11-18(12-8-14)25(23,24)22-21-15(2)13-17-10-9-16-5-3-4-6-19(16)20(17)21/h3-13,21-22H,1-2H3/t21-/m1/s1.
What are the key properties of 4-methyl-N-[(1R)-2-methyl-1H-cyclopenta[a]naphthalen-1-yl]benzenesulfonamide?
4-methyl-N-[(1R)-2-methyl-1H-cyclopenta[a]naphthalen-1-yl]benzenesulfonamide has a molecular weight of 349.46 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1R)-2-methyl-1H-cyclopenta[a]naphthalen-1-yl]benzenesulfonamide is sourced from PubChem (CID 139184409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).