N-(2-cyclohexylsulfanylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C18H26N2O3S2 — CID 92685610

IUPACN-(2-cyclohexylsulfanylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)NCCSC2CCCCC2)cc1
InChIInChI=1S/C18H26N2O3S2/c21-18-7-4-13-20(18)15-8-10-17(11-9-15)25(22,23)19-12-14-24-16-5-2-1-3-6-16/h8-11,16,19H,1-7,12-14H2
InChIKeyNBIUQAZPGQXIOQ-UHFFFAOYSA-N
MW382.55 g/mol
LogP3.16
Rot. Bonds7

About N-(2-cyclohexylsulfanylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-(2-cyclohexylsulfanylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 92685610) has the molecular formula C18H26N2O3S2 and a molecular weight of 382.55 g/mol. Its IUPAC name is N-(2-cyclohexylsulfanylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyclohexylsulfanylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID92685610
Molecular FormulaC18H26N2O3S2
Molecular Weight382.55 g/mol
Exact Mass382.14
IUPAC NameN-(2-cyclohexylsulfanylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)NCCSC2CCCCC2)cc1
InChIInChI=1S/C18H26N2O3S2/c21-18-7-4-13-20(18)15-8-10-17(11-9-15)25(22,23)19-12-14-24-16-5-2-1-3-6-16/h8-11,16,19H,1-7,12-14H2
InChIKeyNBIUQAZPGQXIOQ-UHFFFAOYSA-N
XLogP3.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclooctyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 18096700
N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 46778535
4-(2-oxopyrrolidin-1-yl)-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966549
N-cyclopropyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 22695508
N-[2-(4-aminophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide;hydrochloride
CID 120715724
N-(dicyclopropylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 31847318
N-[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 98137665
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 94019455
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 94019456
N-[2-(2-hydroxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110605335
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
N-[2-(4-methoxyphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 18096887

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylsulfanylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(2-cyclohexylsulfanylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 92685610) is N-(2-cyclohexylsulfanylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-cyclohexylsulfanylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(2-cyclohexylsulfanylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is O=C1CCCN1c1ccc(S(=O)(=O)NCCSC2CCCCC2)cc1.
What is the InChIKey of N-(2-cyclohexylsulfanylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is NBIUQAZPGQXIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S2/c21-18-7-4-13-20(18)15-8-10-17(11-9-15)25(22,23)19-12-14-24-16-5-2-1-3-6-16/h8-11,16,19H,1-7,12-14H2.
What are the key properties of N-(2-cyclohexylsulfanylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-(2-cyclohexylsulfanylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 382.55 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylsulfanylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 92685610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).