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

C21H25N3O3S — CID 110301295

IUPACN-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopiperidin-1-yl)benzenesulfonamide
SMILESO=C1CCCCN1c1ccc(S(=O)(=O)NCCN2CCc3ccccc32)cc1
InChIInChI=1S/C21H25N3O3S/c25-21-7-3-4-14-24(21)18-8-10-19(11-9-18)28(26,27)22-13-16-23-15-12-17-5-1-2-6-20(17)23/h1-2,5-6,8-11,22H,3-4,7,12-16H2
InChIKeyHXAMMOKGRCVBBE-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.54
Rot. Bonds6

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

N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopiperidin-1-yl)benzenesulfonamide (PubChem CID 110301295) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopiperidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopiperidin-1-yl)benzenesulfonamide
PubChem CID110301295
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopiperidin-1-yl)benzenesulfonamide
SMILESO=C1CCCCN1c1ccc(S(=O)(=O)NCCN2CCc3ccccc32)cc1
InChIInChI=1S/C21H25N3O3S/c25-21-7-3-4-14-24(21)18-8-10-19(11-9-18)28(26,27)22-13-16-23-15-12-17-5-1-2-6-20(17)23/h1-2,5-6,8-11,22H,3-4,7,12-16H2
InChIKeyHXAMMOKGRCVBBE-UHFFFAOYSA-N
XLogP2.54
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.54
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
4-cyano-N-[2-(2,3-dihydroindol-1-yl)ethyl]benzenesulfonamide
CID 138596213
4-(2-oxopyrrolidin-1-yl)-N-[(E)-4-phenylbut-3-enyl]benzenesulfonamide
CID 110667633
4-(2-oxopyrrolidin-1-yl)-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966549
4-(2-oxopiperidin-1-yl)-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789466
N-[2-(2-hydroxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110605335
N-(2-methyl-3-phenylpropyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 110356537
N-[2-(4-aminophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide;hydrochloride
CID 120715724
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(2,3-dihydroindol-1-yl)propyl]benzenesulfonamide
CID 37309220
N-[2-(2-oxoazepan-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39667463
N-[4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636091
4-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 8823611

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopiperidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopiperidin-1-yl)benzenesulfonamide (CID 110301295) is N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopiperidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopiperidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopiperidin-1-yl)benzenesulfonamide is O=C1CCCCN1c1ccc(S(=O)(=O)NCCN2CCc3ccccc32)cc1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopiperidin-1-yl)benzenesulfonamide?
The InChIKey is HXAMMOKGRCVBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c25-21-7-3-4-14-24(21)18-8-10-19(11-9-18)28(26,27)22-13-16-23-15-12-17-5-1-2-6-20(17)23/h1-2,5-6,8-11,22H,3-4,7,12-16H2.
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopiperidin-1-yl)benzenesulfonamide?
N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopiperidin-1-yl)benzenesulfonamide has a molecular weight of 399.52 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(2-oxopiperidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 110301295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).