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

C18H19N3O2S — CID 26570254

IUPAC1-[(3-cyanophenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cc1cccc(C#N)c1
InChIInChI=1S/C18H19N3O2S/c1-20(2)24(22,23)17-6-7-18-16(11-17)8-9-21(18)13-15-5-3-4-14(10-15)12-19/h3-7,10-11H,8-9,13H2,1-2H3
InChIKeyYMMQYERMONDVMQ-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.37
Rot. Bonds4

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

1-[(3-cyanophenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 26570254) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 1-[(3-cyanophenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[(3-cyanophenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
PubChem CID26570254
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name1-[(3-cyanophenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cc1cccc(C#N)c1
InChIInChI=1S/C18H19N3O2S/c1-20(2)24(22,23)17-6-7-18-16(11-17)8-9-21(18)13-15-5-3-4-14(10-15)12-19/h3-7,10-11H,8-9,13H2,1-2H3
InChIKeyYMMQYERMONDVMQ-UHFFFAOYSA-N
XLogP2.37
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyanophenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[(3-cyanophenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (CID 26570254) is 1-[(3-cyanophenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[(3-cyanophenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[(3-cyanophenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cc1cccc(C#N)c1.
What is the InChIKey of 1-[(3-cyanophenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is YMMQYERMONDVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-20(2)24(22,23)17-6-7-18-16(11-17)8-9-21(18)13-15-5-3-4-14(10-15)12-19/h3-7,10-11H,8-9,13H2,1-2H3.
What are the key properties of 1-[(3-cyanophenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
1-[(3-cyanophenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 341.44 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyanophenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 26570254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).