1-(benzenesulfonyl)-N-cyclopropyl-N-phenyl-2,3-dihydroindol-5-amine

C23H22N2O2S — CID 175252645

IUPAC1-(benzenesulfonyl)-N-cyclopropyl-N-phenyl-2,3-dihydroindol-5-amine
SMILESO=S(=O)(c1ccccc1)N1CCc2cc(N(c3ccccc3)C3CC3)ccc21
InChIInChI=1S/C23H22N2O2S/c26-28(27,22-9-5-2-6-10-22)24-16-15-18-17-21(13-14-23(18)24)25(20-11-12-20)19-7-3-1-4-8-19/h1-10,13-14,17,20H,11-12,15-16H2
InChIKeyJQQVESDNYQUZQR-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.74
Rot. Bonds5

About 1-(benzenesulfonyl)-N-cyclopropyl-N-phenyl-2,3-dihydroindol-5-amine

1-(benzenesulfonyl)-N-cyclopropyl-N-phenyl-2,3-dihydroindol-5-amine (PubChem CID 175252645) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-cyclopropyl-N-phenyl-2,3-dihydroindol-5-amine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-cyclopropyl-N-phenyl-2,3-dihydroindol-5-amine
PubChem CID175252645
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC Name1-(benzenesulfonyl)-N-cyclopropyl-N-phenyl-2,3-dihydroindol-5-amine
SMILESO=S(=O)(c1ccccc1)N1CCc2cc(N(c3ccccc3)C3CC3)ccc21
InChIInChI=1S/C23H22N2O2S/c26-28(27,22-9-5-2-6-10-22)24-16-15-18-17-21(13-14-23(18)24)25(20-11-12-20)19-7-3-1-4-8-19/h1-10,13-14,17,20H,11-12,15-16H2
InChIKeyJQQVESDNYQUZQR-UHFFFAOYSA-N
XLogP4.74
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole
CID 110713907
1-(benzenesulfonyl)-2,3-dihydroindol-5-amine
CID 16642564
tert-butyl 4-[[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-cyclopropylcarbamoyl]piperidine-1-carboxylate
CID 175252650
trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropan-1-amine
CID 137422519
1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole
CID 155552356
2-[[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid
CID 59334956
2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]propanal
CID 174519680
1-(benzenesulfonyl)-5-(1-propylpiperidin-4-yl)-2,3-dihydroindole
CID 155566888
1-(benzenesulfonyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-2,3-dihydroindole
CID 141206222
1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-cyclopentylurea
CID 20974765
1-(benzenesulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine
CID 86768717
trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-(1-phenylethyl)cyclopropan-1-amine
CID 138734639

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-cyclopropyl-N-phenyl-2,3-dihydroindol-5-amine?
The IUPAC name of 1-(benzenesulfonyl)-N-cyclopropyl-N-phenyl-2,3-dihydroindol-5-amine (CID 175252645) is 1-(benzenesulfonyl)-N-cyclopropyl-N-phenyl-2,3-dihydroindol-5-amine.
What is the SMILES notation for 1-(benzenesulfonyl)-N-cyclopropyl-N-phenyl-2,3-dihydroindol-5-amine?
The canonical SMILES for 1-(benzenesulfonyl)-N-cyclopropyl-N-phenyl-2,3-dihydroindol-5-amine is O=S(=O)(c1ccccc1)N1CCc2cc(N(c3ccccc3)C3CC3)ccc21.
What is the InChIKey of 1-(benzenesulfonyl)-N-cyclopropyl-N-phenyl-2,3-dihydroindol-5-amine?
The InChIKey is JQQVESDNYQUZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c26-28(27,22-9-5-2-6-10-22)24-16-15-18-17-21(13-14-23(18)24)25(20-11-12-20)19-7-3-1-4-8-19/h1-10,13-14,17,20H,11-12,15-16H2.
What are the key properties of 1-(benzenesulfonyl)-N-cyclopropyl-N-phenyl-2,3-dihydroindol-5-amine?
1-(benzenesulfonyl)-N-cyclopropyl-N-phenyl-2,3-dihydroindol-5-amine has a molecular weight of 390.51 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-cyclopropyl-N-phenyl-2,3-dihydroindol-5-amine is sourced from PubChem (CID 175252645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).