1-[4-(dimethylsulfamoylamino)phenyl]-2-methyl-2,3-dihydroindole

C17H21N3O2S — CID 112989581

IUPAC1-[4-(dimethylsulfamoylamino)phenyl]-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1c1ccc(NS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C17H21N3O2S/c1-13-12-14-6-4-5-7-17(14)20(13)16-10-8-15(9-11-16)18-23(21,22)19(2)3/h4-11,13,18H,12H2,1-3H3
InChIKeyPBVCHHBATDHXIU-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.99
Rot. Bonds4

About 1-[4-(dimethylsulfamoylamino)phenyl]-2-methyl-2,3-dihydroindole

1-[4-(dimethylsulfamoylamino)phenyl]-2-methyl-2,3-dihydroindole (PubChem CID 112989581) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-[4-(dimethylsulfamoylamino)phenyl]-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-[4-(dimethylsulfamoylamino)phenyl]-2-methyl-2,3-dihydroindole
PubChem CID112989581
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name1-[4-(dimethylsulfamoylamino)phenyl]-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1c1ccc(NS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C17H21N3O2S/c1-13-12-14-6-4-5-7-17(14)20(13)16-10-8-15(9-11-16)18-23(21,22)19(2)3/h4-11,13,18H,12H2,1-3H3
InChIKeyPBVCHHBATDHXIU-UHFFFAOYSA-N
XLogP2.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-2-phenylethanesulfonamide
CID 112989587
1-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-3-phenylurea
CID 112989569
2-methyl-1-(4-phenylphenyl)-2,3-dihydroindole
CID 20685477
N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]thiophene-2-carboxamide
CID 112989553
2-methyl-1-(4-nitrophenyl)-2,3-dihydroindole
CID 102141492
1-[4-(dimethylsulfamoylamino)phenyl]-4-(2-methoxyphenyl)piperazine
CID 112984492
1-[4-(dimethylsulfamoylamino)phenyl]-4-methylpiperazine
CID 110756624
2-(2-methoxyphenoxy)-N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]acetamide
CID 112989568
1-[4-(dimethylsulfamoylamino)phenyl]piperidine
CID 110756594
N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]thiophene-2-sulfonamide
CID 113036673
N-(4-cyanophenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109200837
1-[2-hydroxy-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanone
CID 79600921

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylsulfamoylamino)phenyl]-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-[4-(dimethylsulfamoylamino)phenyl]-2-methyl-2,3-dihydroindole (CID 112989581) is 1-[4-(dimethylsulfamoylamino)phenyl]-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-[4-(dimethylsulfamoylamino)phenyl]-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-[4-(dimethylsulfamoylamino)phenyl]-2-methyl-2,3-dihydroindole is CC1Cc2ccccc2N1c1ccc(NS(=O)(=O)N(C)C)cc1.
What is the InChIKey of 1-[4-(dimethylsulfamoylamino)phenyl]-2-methyl-2,3-dihydroindole?
The InChIKey is PBVCHHBATDHXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-13-12-14-6-4-5-7-17(14)20(13)16-10-8-15(9-11-16)18-23(21,22)19(2)3/h4-11,13,18H,12H2,1-3H3.
What are the key properties of 1-[4-(dimethylsulfamoylamino)phenyl]-2-methyl-2,3-dihydroindole?
1-[4-(dimethylsulfamoylamino)phenyl]-2-methyl-2,3-dihydroindole has a molecular weight of 331.44 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylsulfamoylamino)phenyl]-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 112989581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).