N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1-phenylmethanimine

C21H18N2O2S — CID 4512362

IUPACN-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1-phenylmethanimine
SMILESO=S(=O)(c1ccc(/N=C/c2ccccc2)cc1)N1CCc2ccccc21
InChIInChI=1S/C21H18N2O2S/c24-26(25,23-15-14-18-8-4-5-9-21(18)23)20-12-10-19(11-13-20)22-16-17-6-2-1-3-7-17/h1-13,16H,14-15H2/b22-16+
InChIKeyCHSCPKFLTBDKGC-CJLVFECKSA-N
MW362.45 g/mol
LogP4.19
Rot. Bonds4

About N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1-phenylmethanimine

N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1-phenylmethanimine (PubChem CID 4512362) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1-phenylmethanimine
PubChem CID4512362
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC NameN-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1-phenylmethanimine
SMILESO=S(=O)(c1ccc(/N=C/c2ccccc2)cc1)N1CCc2ccccc21
InChIInChI=1S/C21H18N2O2S/c24-26(25,23-15-14-18-8-4-5-9-21(18)23)20-12-10-19(11-13-20)22-16-17-6-2-1-3-7-17/h1-13,16H,14-15H2/b22-16+
InChIKeyCHSCPKFLTBDKGC-CJLVFECKSA-N
XLogP4.19
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole
CID 91670097
N-(4-morpholin-4-ylsulfonylphenyl)-1-phenylmethanimine
CID 968608
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide
CID 134034304
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline
CID 43332089
1-(4-pyridin-4-ylphenyl)sulfonyl-2,3-dihydroindole
CID 110454424
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea
CID 1150802
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]ethanamine
CID 43106392
1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole
CID 4806090
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
1-(4-cyclohexylphenyl)sulfonyl-2,3-dihydroindole
CID 893382

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1-phenylmethanimine?
The IUPAC name of N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1-phenylmethanimine (CID 4512362) is N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1-phenylmethanimine.
What is the SMILES notation for N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1-phenylmethanimine?
The canonical SMILES for N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1-phenylmethanimine is O=S(=O)(c1ccc(/N=C/c2ccccc2)cc1)N1CCc2ccccc21.
What is the InChIKey of N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1-phenylmethanimine?
The InChIKey is CHSCPKFLTBDKGC-CJLVFECKSA-N. The full InChI is InChI=1S/C21H18N2O2S/c24-26(25,23-15-14-18-8-4-5-9-21(18)23)20-12-10-19(11-13-20)22-16-17-6-2-1-3-7-17/h1-13,16H,14-15H2/b22-16+.
What are the key properties of N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1-phenylmethanimine?
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1-phenylmethanimine has a molecular weight of 362.45 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1-phenylmethanimine is sourced from PubChem (CID 4512362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).