4-methyl-N-(2-phenyl-1H-inden-1-yl)benzenesulfonamide

C22H19NO2S — CID 102141019

IUPAC4-methyl-N-(2-phenyl-1H-inden-1-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2C(c3ccccc3)=Cc3ccccc32)cc1
InChIInChI=1S/C22H19NO2S/c1-16-11-13-19(14-12-16)26(24,25)23-22-20-10-6-5-9-18(20)15-21(22)17-7-3-2-4-8-17/h2-15,22-23H,1H3
InChIKeyHMBLNDFYQYCCSU-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.57
Rot. Bonds4

About 4-methyl-N-(2-phenyl-1H-inden-1-yl)benzenesulfonamide

4-methyl-N-(2-phenyl-1H-inden-1-yl)benzenesulfonamide (PubChem CID 102141019) has the molecular formula C22H19NO2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 4-methyl-N-(2-phenyl-1H-inden-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-phenyl-1H-inden-1-yl)benzenesulfonamide
PubChem CID102141019
Molecular FormulaC22H19NO2S
Molecular Weight361.47 g/mol
Exact Mass361.11
IUPAC Name4-methyl-N-(2-phenyl-1H-inden-1-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2C(c3ccccc3)=Cc3ccccc32)cc1
InChIInChI=1S/C22H19NO2S/c1-16-11-13-19(14-12-16)26(24,25)23-22-20-10-6-5-9-18(20)15-21(22)17-7-3-2-4-8-17/h2-15,22-23H,1H3
InChIKeyHMBLNDFYQYCCSU-UHFFFAOYSA-N
XLogP4.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[(1R)-2-methyl-1H-inden-1-yl]benzenesulfonamide
CID 135033857
N-[(4S)-3-formyl-2-phenyl-4H-chromen-4-yl]-4-methylbenzenesulfonamide
CID 102040404
N-[(1S,2S)-2-anilino-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide
CID 134954277
N-(7-fluoro-2,3-diphenyl-1H-inden-1-yl)-4-methylbenzenesulfonamide
CID 102343066
4-methyl-N-[(1R)-2-methyl-1H-cyclopenta[a]naphthalen-1-yl]benzenesulfonamide
CID 139184409
N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4-methylbenzenesulfonamide
CID 15500178
[1-[(4-methylphenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate
CID 22678928
N-cyclopropyl-4-phenylbenzenesulfonamide
CID 110757630
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
N-[(1R,2R)-1-chloro-2,3-dihydro-1H-inden-2-yl]-4-methylbenzenesulfonamide
CID 11558812
4-methyl-N-[(R)-(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 102072204

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-phenyl-1H-inden-1-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-phenyl-1H-inden-1-yl)benzenesulfonamide (CID 102141019) is 4-methyl-N-(2-phenyl-1H-inden-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-phenyl-1H-inden-1-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-phenyl-1H-inden-1-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2C(c3ccccc3)=Cc3ccccc32)cc1.
What is the InChIKey of 4-methyl-N-(2-phenyl-1H-inden-1-yl)benzenesulfonamide?
The InChIKey is HMBLNDFYQYCCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2S/c1-16-11-13-19(14-12-16)26(24,25)23-22-20-10-6-5-9-18(20)15-21(22)17-7-3-2-4-8-17/h2-15,22-23H,1H3.
What are the key properties of 4-methyl-N-(2-phenyl-1H-inden-1-yl)benzenesulfonamide?
4-methyl-N-(2-phenyl-1H-inden-1-yl)benzenesulfonamide has a molecular weight of 361.47 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-phenyl-1H-inden-1-yl)benzenesulfonamide is sourced from PubChem (CID 102141019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).