4-methyl-N-(7-methyl-2-nitro-3-phenyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide

C23H22N2O4S — CID 142755239

IUPAC4-methyl-N-(7-methyl-2-nitro-3-phenyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2c3c(C)cccc3C(c3ccccc3)C2[N+](=O)[O-])cc1
InChIInChI=1S/C23H22N2O4S/c1-15-11-13-18(14-12-15)30(28,29)24-22-20-16(2)7-6-10-19(20)21(23(22)25(26)27)17-8-4-3-5-9-17/h3-14,21-24H,1-2H3
InChIKeyRSCCAGWHUSYUHF-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.11
Rot. Bonds5

About 4-methyl-N-(7-methyl-2-nitro-3-phenyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide

4-methyl-N-(7-methyl-2-nitro-3-phenyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide (PubChem CID 142755239) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is 4-methyl-N-(7-methyl-2-nitro-3-phenyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(7-methyl-2-nitro-3-phenyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
PubChem CID142755239
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC Name4-methyl-N-(7-methyl-2-nitro-3-phenyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2c3c(C)cccc3C(c3ccccc3)C2[N+](=O)[O-])cc1
InChIInChI=1S/C23H22N2O4S/c1-15-11-13-18(14-12-15)30(28,29)24-22-20-16(2)7-6-10-19(20)21(23(22)25(26)27)17-8-4-3-5-9-17/h3-14,21-24H,1-2H3
InChIKeyRSCCAGWHUSYUHF-UHFFFAOYSA-N
XLogP4.11
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1S,8S)-15-(benzenesulfonyl)-3,10-dimethyl-16-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
CID 11796339
4-methyl-N-[(1R)-2-methyl-1H-inden-1-yl]benzenesulfonamide
CID 135033857
(1R,2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-diphenyl-2,3-dihydro-1H-indene
CID 134982597
N-[(1S,2S)-2-anilino-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide
CID 134954277
4-methyl-N-(2-phenyl-1H-inden-1-yl)benzenesulfonamide
CID 102141019
N-[(2S,3R,4R)-2-(3-bromophenyl)-3-nitro-3,4-dihydro-2H-chromen-4-yl]-2,4,6-trimethylbenzenesulfonamide
CID 139040189
(3S,4S,5R)-5-(benzenesulfonyl)-2-(4-methylphenyl)-4-nitro-3-phenyl-1,2-oxazolidine
CID 10764793
N-(7-fluoro-2,3-diphenyl-1H-inden-1-yl)-4-methylbenzenesulfonamide
CID 102343066
N-[(4S)-3-formyl-2-phenyl-4H-chromen-4-yl]-4-methylbenzenesulfonamide
CID 102040404
N-(7H-benzo[c]xanthen-7-yl)-4-methylbenzenesulfonamide
CID 102105080
[(1S,2R)-1-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-2-yl] 2-oxo-2-phenylacetate
CID 10993798
N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 19256835

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(7-methyl-2-nitro-3-phenyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(7-methyl-2-nitro-3-phenyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide (CID 142755239) is 4-methyl-N-(7-methyl-2-nitro-3-phenyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(7-methyl-2-nitro-3-phenyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(7-methyl-2-nitro-3-phenyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2c3c(C)cccc3C(c3ccccc3)C2[N+](=O)[O-])cc1.
What is the InChIKey of 4-methyl-N-(7-methyl-2-nitro-3-phenyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide?
The InChIKey is RSCCAGWHUSYUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c1-15-11-13-18(14-12-15)30(28,29)24-22-20-16(2)7-6-10-19(20)21(23(22)25(26)27)17-8-4-3-5-9-17/h3-14,21-24H,1-2H3.
What are the key properties of 4-methyl-N-(7-methyl-2-nitro-3-phenyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide?
4-methyl-N-(7-methyl-2-nitro-3-phenyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide has a molecular weight of 422.51 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(7-methyl-2-nitro-3-phenyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide is sourced from PubChem (CID 142755239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).