3-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]propane-1-sulfonamide

C13H20ClNO2S2 — CID 54877167

IUPAC3-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NC(c1cccs1)C1CCCC1
InChIInChI=1S/C13H20ClNO2S2/c14-8-4-10-19(16,17)15-13(11-5-1-2-6-11)12-7-3-9-18-12/h3,7,9,11,13,15H,1-2,4-6,8,10H2
InChIKeyTZRQWRKOTLSJRL-UHFFFAOYSA-N
MW321.90 g/mol
LogP3.53
Rot. Bonds7

About 3-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]propane-1-sulfonamide

3-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]propane-1-sulfonamide (PubChem CID 54877167) has the molecular formula C13H20ClNO2S2 and a molecular weight of 321.90 g/mol. Its IUPAC name is 3-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]propane-1-sulfonamide
PubChem CID54877167
Molecular FormulaC13H20ClNO2S2
Molecular Weight321.90 g/mol
Exact Mass321.06
IUPAC Name3-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NC(c1cccs1)C1CCCC1
InChIInChI=1S/C13H20ClNO2S2/c14-8-4-10-19(16,17)15-13(11-5-1-2-6-11)12-7-3-9-18-12/h3,7,9,11,13,15H,1-2,4-6,8,10H2
InChIKeyTZRQWRKOTLSJRL-UHFFFAOYSA-N
XLogP3.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.90
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]propane-1-sulfonamide (CID 54877167) is 3-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]propane-1-sulfonamide is O=S(=O)(CCCCl)NC(c1cccs1)C1CCCC1.
What is the InChIKey of 3-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]propane-1-sulfonamide?
The InChIKey is TZRQWRKOTLSJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2S2/c14-8-4-10-19(16,17)15-13(11-5-1-2-6-11)12-7-3-9-18-12/h3,7,9,11,13,15H,1-2,4-6,8,10H2.
What are the key properties of 3-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]propane-1-sulfonamide?
3-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]propane-1-sulfonamide has a molecular weight of 321.90 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 54877167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).