(2S)-2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide

C17H20N2O2S — CID 40809955

IUPAC(2S)-2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCc1cccc(CN2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)c1
InChIInChI=1S/C17H20N2O2S/c1-12-4-3-5-14(8-12)11-19-13(2)9-15-10-16(22(18,20)21)6-7-17(15)19/h3-8,10,13H,9,11H2,1-2H3,(H2,18,20,21)/t13-/m0/s1
InChIKeyPJMUEADTRFTDCB-ZDUSSCGKSA-N
MW316.43 g/mol
LogP2.59
Rot. Bonds3

About (2S)-2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide

(2S)-2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 40809955) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is (2S)-2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(2S)-2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID40809955
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name(2S)-2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCc1cccc(CN2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)c1
InChIInChI=1S/C17H20N2O2S/c1-12-4-3-5-14(8-12)11-19-13(2)9-15-10-16(22(18,20)21)6-7-17(15)19/h3-8,10,13H,9,11H2,1-2H3,(H2,18,20,21)/t13-/m0/s1
InChIKeyPJMUEADTRFTDCB-ZDUSSCGKSA-N
XLogP2.59
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(4-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 34918356
2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole
CID 22199925
(2S)-1-[(2-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 34918768
(2S)-2-methyl-1-(3-phenylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 26034686
(2S)-1-[(2-methoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40954492
(2R)-1-[(2-cyanophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 25412404
(2R)-2-methyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 25349108
(2S)-1-(1,3-benzothiazol-2-ylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40954244
(2R)-1-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 25355714
2-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 42926233
(2R)-1-[2-(3-fluorophenoxy)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 36944261
(2R)-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 1253684

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of (2S)-2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide (CID 40809955) is (2S)-2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (2S)-2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (2S)-2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide is Cc1cccc(CN2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)c1.
What is the InChIKey of (2S)-2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is PJMUEADTRFTDCB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-12-4-3-5-14(8-12)11-19-13(2)9-15-10-16(22(18,20)21)6-7-17(15)19/h3-8,10,13H,9,11H2,1-2H3,(H2,18,20,21)/t13-/m0/s1.
What are the key properties of (2S)-2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
(2S)-2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 316.43 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 40809955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).