N-[(1S,2S)-2-anilino-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide

C23H22N2O2S — CID 134954277

IUPACN-[(1S,2S)-2-anilino-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2c3ccccc3C=C[C@@H]2Nc2ccccc2)cc1
InChIInChI=1S/C23H22N2O2S/c1-17-11-14-20(15-12-17)28(26,27)25-23-21-10-6-5-7-18(21)13-16-22(23)24-19-8-3-2-4-9-19/h2-16,22-25H,1H3/t22-,23-/m0/s1
InChIKeyTUTVVUIWQYOQMJ-GOTSBHOMSA-N
MW390.51 g/mol
LogP4.52
Rot. Bonds5

About N-[(1S,2S)-2-anilino-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide

N-[(1S,2S)-2-anilino-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide (PubChem CID 134954277) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[(1S,2S)-2-anilino-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-anilino-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide
PubChem CID134954277
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC NameN-[(1S,2S)-2-anilino-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2c3ccccc3C=C[C@@H]2Nc2ccccc2)cc1
InChIInChI=1S/C23H22N2O2S/c1-17-11-14-20(15-12-17)28(26,27)25-23-21-10-6-5-7-18(21)13-16-22(23)24-19-8-3-2-4-9-19/h2-16,22-25H,1H3/t22-,23-/m0/s1
InChIKeyTUTVVUIWQYOQMJ-GOTSBHOMSA-N
XLogP4.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide
CID 59041096
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
(1R,2R)-2-methoxy-N-phenyl-1,2-dihydronaphthalen-1-amine
CID 59041093
N-[(1R,2R)-2-(4-methylanilino)cyclohexyl]benzenesulfonamide
CID 1121471
[1-[(4-methylphenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate
CID 22678928
4-[(4-methylphenyl)sulfonylamino]-N-phenylpiperidine-1-carboxamide
CID 46380328
4-methyl-N-(7-methyl-2-nitro-3-phenyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
CID 142755239
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-methylaniline;4-methylbenzenesulfonyl chloride
CID 175068196
2-[(4-methylphenyl)sulfonylamino]-N-phenylpropanamide
CID 5205930

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-anilino-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1S,2S)-2-anilino-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide (CID 134954277) is N-[(1S,2S)-2-anilino-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-anilino-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1S,2S)-2-anilino-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H]2c3ccccc3C=C[C@@H]2Nc2ccccc2)cc1.
What is the InChIKey of N-[(1S,2S)-2-anilino-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide?
The InChIKey is TUTVVUIWQYOQMJ-GOTSBHOMSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-17-11-14-20(15-12-17)28(26,27)25-23-21-10-6-5-7-18(21)13-16-22(23)24-19-8-3-2-4-9-19/h2-16,22-25H,1H3/t22-,23-/m0/s1.
What are the key properties of N-[(1S,2S)-2-anilino-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide?
N-[(1S,2S)-2-anilino-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-anilino-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 134954277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).