(2R)-1-[(2-cyanophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

C17H17N3O2S — CID 25412404

IUPAC(2R)-1-[(2-cyanophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESC[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1ccccc1C#N
InChIInChI=1S/C17H17N3O2S/c1-12-8-15-9-16(23(19,21)22)6-7-17(15)20(12)11-14-5-3-2-4-13(14)10-18/h2-7,9,12H,8,11H2,1H3,(H2,19,21,22)/t12-/m1/s1
InChIKeyVMFLUDSDKZBEAA-GFCCVEGCSA-N
MW327.41 g/mol
LogP2.16
Rot. Bonds3

About (2R)-1-[(2-cyanophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

(2R)-1-[(2-cyanophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 25412404) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is (2R)-1-[(2-cyanophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(2R)-1-[(2-cyanophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID25412404
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name(2R)-1-[(2-cyanophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESC[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1ccccc1C#N
InChIInChI=1S/C17H17N3O2S/c1-12-8-15-9-16(23(19,21)22)6-7-17(15)20(12)11-14-5-3-2-4-13(14)10-18/h2-7,9,12H,8,11H2,1H3,(H2,19,21,22)/t12-/m1/s1
InChIKeyVMFLUDSDKZBEAA-GFCCVEGCSA-N
XLogP2.16
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.16
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
(2S)-1-[(2-methoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40954492
(2R)-1-[(4-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 34918356
(2S)-2-methyl-1-(3-phenylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 26034686
(2S)-2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 40809955
(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
1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 42946432
(2R)-1-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 25355714
(2R)-1-[2-(3-fluorophenoxy)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 36944261
3-[(2-cyanophenyl)methylamino]-4-methylbenzenesulfonamide
CID 107935920

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-cyanophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of (2R)-1-[(2-cyanophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (CID 25412404) is (2R)-1-[(2-cyanophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (2R)-1-[(2-cyanophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (2R)-1-[(2-cyanophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1ccccc1C#N.
What is the InChIKey of (2R)-1-[(2-cyanophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is VMFLUDSDKZBEAA-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-12-8-15-9-16(23(19,21)22)6-7-17(15)20(12)11-14-5-3-2-4-13(14)10-18/h2-7,9,12H,8,11H2,1H3,(H2,19,21,22)/t12-/m1/s1.
What are the key properties of (2R)-1-[(2-cyanophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
(2R)-1-[(2-cyanophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 327.41 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-cyanophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 25412404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).