4-cyano-N-[2-(2,3-dihydroindol-1-yl)ethyl]benzenesulfonamide

C17H17N3O2S — CID 138596213

IUPAC4-cyano-N-[2-(2,3-dihydroindol-1-yl)ethyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCN2CCc3ccccc32)cc1
InChIInChI=1S/C17H17N3O2S/c18-13-14-5-7-16(8-6-14)23(21,22)19-10-12-20-11-9-15-3-1-2-4-17(15)20/h1-8,19H,9-12H2
InChIKeyBSSOWLVOGYEUOB-UHFFFAOYSA-N
MW327.41 g/mol
LogP1.90
Rot. Bonds5

About 4-cyano-N-[2-(2,3-dihydroindol-1-yl)ethyl]benzenesulfonamide

4-cyano-N-[2-(2,3-dihydroindol-1-yl)ethyl]benzenesulfonamide (PubChem CID 138596213) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-cyano-N-[2-(2,3-dihydroindol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[2-(2,3-dihydroindol-1-yl)ethyl]benzenesulfonamide
PubChem CID138596213
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name4-cyano-N-[2-(2,3-dihydroindol-1-yl)ethyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCN2CCc3ccccc32)cc1
InChIInChI=1S/C17H17N3O2S/c18-13-14-5-7-16(8-6-14)23(21,22)19-10-12-20-11-9-15-3-1-2-4-17(15)20/h1-8,19H,9-12H2
InChIKeyBSSOWLVOGYEUOB-UHFFFAOYSA-N
XLogP1.90
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 112502099
N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 110301295
4-cyano-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzenesulfonamide
CID 134006879
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzenesulfonamide
CID 35391328
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(2,3-dihydroindol-1-yl)propyl]benzenesulfonamide
CID 37309220
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-nitrobenzenesulfonamide
CID 19094007
4-cyano-N-(4-phenyl-3-piperidin-1-ylbutyl)benzenesulfonamide
CID 162411724
4-cyano-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 8844122
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylethanamine
CID 54806649
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide
CID 52662594
N-(3-chloropropyl)-4-cyanobenzenesulfonamide
CID 43133775
N-butyl-4-cyanobenzenesulfonamide
CID 3555489

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(2,3-dihydroindol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[2-(2,3-dihydroindol-1-yl)ethyl]benzenesulfonamide (CID 138596213) is 4-cyano-N-[2-(2,3-dihydroindol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[2-(2,3-dihydroindol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[2-(2,3-dihydroindol-1-yl)ethyl]benzenesulfonamide is N#Cc1ccc(S(=O)(=O)NCCN2CCc3ccccc32)cc1.
What is the InChIKey of 4-cyano-N-[2-(2,3-dihydroindol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is BSSOWLVOGYEUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c18-13-14-5-7-16(8-6-14)23(21,22)19-10-12-20-11-9-15-3-1-2-4-17(15)20/h1-8,19H,9-12H2.
What are the key properties of 4-cyano-N-[2-(2,3-dihydroindol-1-yl)ethyl]benzenesulfonamide?
4-cyano-N-[2-(2,3-dihydroindol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 327.41 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(2,3-dihydroindol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 138596213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).