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

C17H20N2O3S — CID 40954492

IUPAC(2S)-1-[(2-methoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCOc1ccccc1CN1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C
InChIInChI=1S/C17H20N2O3S/c1-12-9-14-10-15(23(18,20)21)7-8-16(14)19(12)11-13-5-3-4-6-17(13)22-2/h3-8,10,12H,9,11H2,1-2H3,(H2,18,20,21)/t12-/m0/s1
InChIKeyOVMXGIONSFGVBI-LBPRGKRZSA-N
MW332.43 g/mol
LogP2.29
Rot. Bonds4

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

(2S)-1-[(2-methoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 40954492) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is (2S)-1-[(2-methoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(2S)-1-[(2-methoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID40954492
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name(2S)-1-[(2-methoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCOc1ccccc1CN1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C
InChIInChI=1S/C17H20N2O3S/c1-12-9-14-10-15(23(18,20)21)7-8-16(14)19(12)11-13-5-3-4-6-17(13)22-2/h3-8,10,12H,9,11H2,1-2H3,(H2,18,20,21)/t12-/m0/s1
InChIKeyOVMXGIONSFGVBI-LBPRGKRZSA-N
XLogP2.29
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(2-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 34918768
1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 42946432
(2R)-1-[(2-cyanophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 25412404
(2R)-1-[(4-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 34918356
(2S)-2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 40809955
(2S)-2-methyl-1-(3-phenylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 26034686
(2S)-1-(1,3-benzothiazol-2-ylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40954244
(2R)-2-methyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 25349108
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)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 51725307
ethyl (4S)-6-[[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 124838457

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-methoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of (2S)-1-[(2-methoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (CID 40954492) is (2S)-1-[(2-methoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (2S)-1-[(2-methoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (2S)-1-[(2-methoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is COc1ccccc1CN1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C.
What is the InChIKey of (2S)-1-[(2-methoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is OVMXGIONSFGVBI-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12-9-14-10-15(23(18,20)21)7-8-16(14)19(12)11-13-5-3-4-6-17(13)22-2/h3-8,10,12H,9,11H2,1-2H3,(H2,18,20,21)/t12-/m0/s1.
What are the key properties of (2S)-1-[(2-methoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
(2S)-1-[(2-methoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 332.43 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2-methoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 40954492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).