3-azido-5-ethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole

C17H18N4O2S — CID 175207178

IUPAC3-azido-5-ethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
SMILESCCc1ccc2c(c1)C(N=[N+]=[N-])CN2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H18N4O2S/c1-3-13-6-9-17-15(10-13)16(19-20-18)11-21(17)24(22,23)14-7-4-12(2)5-8-14/h4-10,16H,3,11H2,1-2H3
InChIKeyVOEORHYCKXIIQW-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.12
Rot. Bonds4

About 3-azido-5-ethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole

3-azido-5-ethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole (PubChem CID 175207178) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-azido-5-ethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name3-azido-5-ethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
PubChem CID175207178
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name3-azido-5-ethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
SMILESCCc1ccc2c(c1)C(N=[N+]=[N-])CN2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H18N4O2S/c1-3-13-6-9-17-15(10-13)16(19-20-18)11-21(17)24(22,23)14-7-4-12(2)5-8-14/h4-10,16H,3,11H2,1-2H3
InChIKeyVOEORHYCKXIIQW-UHFFFAOYSA-N
XLogP4.12
TPSA86.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 3-azido-5-ethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-azido-6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 175207184
methyl 3-azido-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxylate
CID 175204048
3-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 71662647
N-[(2,5-diethylphenyl)methyl]-7-methyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 133161801
5-(azidomethyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
CID 10266556
5-chloro-3-ethenyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 11013053
2-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanamine
CID 14916960
4-(4-ethylphenyl)sulfonyl-6-methyl-2,3-dihydro-1,4-benzoxazine
CID 110639223
(3R)-3-ethyl-5-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-4-carbaldehyde
CID 170223842
(4S,6R)-2,8-bis-(4-methylphenyl)sulfonyl-5-oxa-2,8-diazatricyclo[7.4.0.04,6]trideca-1(13),9,11-triene
CID 102589599
(3S)-3-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 139092648
1-(4-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959888

Frequently Asked Questions

What is the IUPAC name of 3-azido-5-ethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 3-azido-5-ethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole (CID 175207178) is 3-azido-5-ethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 3-azido-5-ethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 3-azido-5-ethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole is CCc1ccc2c(c1)C(N=[N+]=[N-])CN2S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 3-azido-5-ethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is VOEORHYCKXIIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-3-13-6-9-17-15(10-13)16(19-20-18)11-21(17)24(22,23)14-7-4-12(2)5-8-14/h4-10,16H,3,11H2,1-2H3.
What are the key properties of 3-azido-5-ethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole?
3-azido-5-ethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 342.42 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-5-ethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 175207178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).