N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4-methylbenzenesulfonamide

C18H21NO2S — CID 15500178

IUPACN-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2CC(C)(C)c3ccccc32)cc1
InChIInChI=1S/C18H21NO2S/c1-13-8-10-14(11-9-13)22(20,21)19-17-12-18(2,3)16-7-5-4-6-15(16)17/h4-11,17,19H,12H2,1-3H3/t17-/m0/s1
InChIKeyVEYFVFVSDXNLEX-KRWDZBQOSA-N
MW315.44 g/mol
LogP3.70
Rot. Bonds3

About N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4-methylbenzenesulfonamide

N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4-methylbenzenesulfonamide (PubChem CID 15500178) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4-methylbenzenesulfonamide
PubChem CID15500178
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2CC(C)(C)c3ccccc32)cc1
InChIInChI=1S/C18H21NO2S/c1-13-8-10-14(11-9-13)22(20,21)19-17-12-18(2,3)16-7-5-4-6-15(16)17/h4-11,17,19H,12H2,1-3H3/t17-/m0/s1
InChIKeyVEYFVFVSDXNLEX-KRWDZBQOSA-N
XLogP3.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-4-nitrobenzenesulfonamide
CID 101263978
4-methyl-N-[(1R)-2-methyl-1H-inden-1-yl]benzenesulfonamide
CID 135033857
4-methyl-N-(2-phenyl-1H-inden-1-yl)benzenesulfonamide
CID 102141019
N-[(1R,2R)-1-chloro-2,3-dihydro-1H-inden-2-yl]-4-methylbenzenesulfonamide
CID 11558812
5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-phenyl-1,2-dihydro-3-benzazepin-4-one
CID 155907249
N-[(1S,10aS)-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-1-yl]-4-methylbenzenesulfonamide
CID 138969893
4,4-dimethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinoline
CID 91938897
4-methyl-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide
CID 50936368
N-(1-benzylazetidin-3-yl)-4-methylbenzenesulfonamide
CID 11324550
4-methyl-N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide
CID 2817636
N-[(1S,2S)-2-fluorocyclopropyl]-4-methylbenzenesulfonamide
CID 7154370
[1-[(4-methylphenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate
CID 22678928

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4-methylbenzenesulfonamide (CID 15500178) is N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H]2CC(C)(C)c3ccccc32)cc1.
What is the InChIKey of N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4-methylbenzenesulfonamide?
The InChIKey is VEYFVFVSDXNLEX-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-13-8-10-14(11-9-13)22(20,21)19-17-12-18(2,3)16-7-5-4-6-15(16)17/h4-11,17,19H,12H2,1-3H3/t17-/m0/s1.
What are the key properties of N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4-methylbenzenesulfonamide?
N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4-methylbenzenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 15500178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).