4-methyl-N-[(1R)-2-methyl-1H-inden-1-yl]benzenesulfonamide

C17H17NO2S — CID 135033857

IUPAC4-methyl-N-[(1R)-2-methyl-1H-inden-1-yl]benzenesulfonamide
SMILESCC1=Cc2ccccc2[C@@H]1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H17NO2S/c1-12-7-9-15(10-8-12)21(19,20)18-17-13(2)11-14-5-3-4-6-16(14)17/h3-11,17-18H,1-2H3/t17-/m1/s1
InChIKeyAKKZMYHPDFQDBS-QGZVFWFLSA-N
MW299.40 g/mol
LogP3.43
Rot. Bonds3

About 4-methyl-N-[(1R)-2-methyl-1H-inden-1-yl]benzenesulfonamide

4-methyl-N-[(1R)-2-methyl-1H-inden-1-yl]benzenesulfonamide (PubChem CID 135033857) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-methyl-N-[(1R)-2-methyl-1H-inden-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1R)-2-methyl-1H-inden-1-yl]benzenesulfonamide
PubChem CID135033857
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name4-methyl-N-[(1R)-2-methyl-1H-inden-1-yl]benzenesulfonamide
SMILESCC1=Cc2ccccc2[C@@H]1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H17NO2S/c1-12-7-9-15(10-8-12)21(19,20)18-17-13(2)11-14-5-3-4-6-16(14)17/h3-11,17-18H,1-2H3/t17-/m1/s1
InChIKeyAKKZMYHPDFQDBS-QGZVFWFLSA-N
XLogP3.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(2-phenyl-1H-inden-1-yl)benzenesulfonamide
CID 102141019
4-methyl-N-[(1R)-2-methyl-1H-cyclopenta[a]naphthalen-1-yl]benzenesulfonamide
CID 139184409
N-[(1S,2S)-2-anilino-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide
CID 134954277
N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4-methylbenzenesulfonamide
CID 15500178
N-[(1R,2R)-1-chloro-2,3-dihydro-1H-inden-2-yl]-4-methylbenzenesulfonamide
CID 11558812
N-[(4S)-3-formyl-2-phenyl-4H-chromen-4-yl]-4-methylbenzenesulfonamide
CID 102040404
N-(3-methoxy-9H-xanthen-9-yl)-4-methylbenzenesulfonamide
CID 102105075
N-(7H-benzo[c]xanthen-7-yl)-4-methylbenzenesulfonamide
CID 102105080
[1-[(4-methylphenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate
CID 22678928
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
methyl 4-[(4-methylphenyl)sulfonylamino]-2-(trifluoromethyl)-4H-chromene-3-carboxylate
CID 102299766
N-(7-fluoro-2,3-diphenyl-1H-inden-1-yl)-4-methylbenzenesulfonamide
CID 102343066

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R)-2-methyl-1H-inden-1-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1R)-2-methyl-1H-inden-1-yl]benzenesulfonamide (CID 135033857) is 4-methyl-N-[(1R)-2-methyl-1H-inden-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1R)-2-methyl-1H-inden-1-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1R)-2-methyl-1H-inden-1-yl]benzenesulfonamide is CC1=Cc2ccccc2[C@@H]1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[(1R)-2-methyl-1H-inden-1-yl]benzenesulfonamide?
The InChIKey is AKKZMYHPDFQDBS-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-12-7-9-15(10-8-12)21(19,20)18-17-13(2)11-14-5-3-4-6-16(14)17/h3-11,17-18H,1-2H3/t17-/m1/s1.
What are the key properties of 4-methyl-N-[(1R)-2-methyl-1H-inden-1-yl]benzenesulfonamide?
4-methyl-N-[(1R)-2-methyl-1H-inden-1-yl]benzenesulfonamide has a molecular weight of 299.40 g/mol, XLogP of 3.43, 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-inden-1-yl]benzenesulfonamide is sourced from PubChem (CID 135033857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).