4-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide

C10H13ClN2O2S2 — CID 107295661

IUPAC4-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1CCSC1)c1cnccc1Cl
InChIInChI=1S/C10H13ClN2O2S2/c11-9-1-3-12-6-10(9)17(14,15)13-5-8-2-4-16-7-8/h1,3,6,8,13H,2,4-5,7H2
InChIKeyWXLKTADYHZUAQV-UHFFFAOYSA-N
MW292.81 g/mol
LogP1.77
Rot. Bonds4

About 4-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide

4-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide (PubChem CID 107295661) has the molecular formula C10H13ClN2O2S2 and a molecular weight of 292.81 g/mol. Its IUPAC name is 4-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide
PubChem CID107295661
Molecular FormulaC10H13ClN2O2S2
Molecular Weight292.81 g/mol
Exact Mass292.01
IUPAC Name4-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1CCSC1)c1cnccc1Cl
InChIInChI=1S/C10H13ClN2O2S2/c11-9-1-3-12-6-10(9)17(14,15)13-5-8-2-4-16-7-8/h1,3,6,8,13H,2,4-5,7H2
InChIKeyWXLKTADYHZUAQV-UHFFFAOYSA-N
XLogP1.77
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2433223
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6-chloro-N-cyclohexylpyridine-3-sulfonamide
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4-Chloro-3-pyridinesulfonamide
CID 118426
2-Chloro-3-(ethanesulfonyl)pyridine
CID 15324913
5-chloro-N-[(pyridin-3-yl)methyl]thiophene-2-sulfonamide
CID 2104199
N-tert-butyl-6-chloropyridine-3-sulfonamide
CID 4729821
6-chloro-N-cyclopentylpyridine-3-sulfonamide
CID 16227304
2-Chloro-5-(ethanesulfonyl)pyridine
CID 44228955
(6-Chloropyridin-3-yl)(ethyl)imino-lambda6-sulfanone
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4-chloro-N-[2-(2-pyridinylthio)ethyl]benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 4-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide (CID 107295661) is 4-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 4-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 4-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide is O=S(=O)(NCC1CCSC1)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is WXLKTADYHZUAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S2/c11-9-1-3-12-6-10(9)17(14,15)13-5-8-2-4-16-7-8/h1,3,6,8,13H,2,4-5,7H2.
What are the key properties of 4-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide?
4-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 292.81 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 107295661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).