5-bromo-N-(2-ethylsulfanylcyclopentyl)pyridine-3-sulfonamide

C12H17BrN2O2S2 — CID 113249327

IUPAC5-bromo-N-(2-ethylsulfanylcyclopentyl)pyridine-3-sulfonamide
SMILESCCSC1CCCC1NS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C12H17BrN2O2S2/c1-2-18-12-5-3-4-11(12)15-19(16,17)10-6-9(13)7-14-8-10/h6-8,11-12,15H,2-5H2,1H3
InChIKeyNRHMTCGZOQSPSI-UHFFFAOYSA-N
MW365.32 g/mol
LogP2.80
Rot. Bonds5

About 5-bromo-N-(2-ethylsulfanylcyclopentyl)pyridine-3-sulfonamide

5-bromo-N-(2-ethylsulfanylcyclopentyl)pyridine-3-sulfonamide (PubChem CID 113249327) has the molecular formula C12H17BrN2O2S2 and a molecular weight of 365.32 g/mol. Its IUPAC name is 5-bromo-N-(2-ethylsulfanylcyclopentyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-ethylsulfanylcyclopentyl)pyridine-3-sulfonamide
PubChem CID113249327
Molecular FormulaC12H17BrN2O2S2
Molecular Weight365.32 g/mol
Exact Mass363.99
IUPAC Name5-bromo-N-(2-ethylsulfanylcyclopentyl)pyridine-3-sulfonamide
SMILESCCSC1CCCC1NS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C12H17BrN2O2S2/c1-2-18-12-5-3-4-11(12)15-19(16,17)10-6-9(13)7-14-8-10/h6-8,11-12,15H,2-5H2,1H3
InChIKeyNRHMTCGZOQSPSI-UHFFFAOYSA-N
XLogP2.80
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 106002321
4-(aminomethyl)-3-chloro-N-(2-ethylsulfanylcyclopentyl)benzenesulfonamide
CID 106093469
N-(2-ethylsulfanylcyclopentyl)ethanesulfonamide
CID 103727787
5-bromo-N-methylpyridine-3-sulfonamide
CID 46738979
5-bromo-N-[2-(ethylamino)ethyl]pyridine-3-sulfonamide
CID 62665108
5-bromo-N-(thiolan-3-yl)pyridine-3-sulfonamide
CID 103697980
4-(ethylaminomethyl)-N-(2-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 106093464
3-[(5-bromo-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 63042579
5-bromo-N-[(2-bromocyclohexyl)methyl]pyridine-3-sulfonamide
CID 114297590
5-(aminomethyl)-N-(2-ethylsulfanylcyclopentyl)-2-methylfuran-3-sulfonamide
CID 106093408
2-chloro-N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)benzenesulfonamide
CID 106002315
5-bromo-N-(2-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 62094279

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-ethylsulfanylcyclopentyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(2-ethylsulfanylcyclopentyl)pyridine-3-sulfonamide (CID 113249327) is 5-bromo-N-(2-ethylsulfanylcyclopentyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-ethylsulfanylcyclopentyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-ethylsulfanylcyclopentyl)pyridine-3-sulfonamide is CCSC1CCCC1NS(=O)(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(2-ethylsulfanylcyclopentyl)pyridine-3-sulfonamide?
The InChIKey is NRHMTCGZOQSPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2S2/c1-2-18-12-5-3-4-11(12)15-19(16,17)10-6-9(13)7-14-8-10/h6-8,11-12,15H,2-5H2,1H3.
What are the key properties of 5-bromo-N-(2-ethylsulfanylcyclopentyl)pyridine-3-sulfonamide?
5-bromo-N-(2-ethylsulfanylcyclopentyl)pyridine-3-sulfonamide has a molecular weight of 365.32 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-ethylsulfanylcyclopentyl)pyridine-3-sulfonamide is sourced from PubChem (CID 113249327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).