2-chloro-4-fluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

C16H17ClFNO3S2 — CID 42947045

IUPAC2-chloro-4-fluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1Cl)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C16H17ClFNO3S2/c17-15-9-12(18)5-6-16(15)24(20,21)19(10-13-3-1-7-22-13)11-14-4-2-8-23-14/h2,4-6,8-9,13H,1,3,7,10-11H2
InChIKeyUJHGBHGZOKVHPO-UHFFFAOYSA-N
MW389.90 g/mol
LogP3.91
Rot. Bonds6

About 2-chloro-4-fluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

2-chloro-4-fluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 42947045) has the molecular formula C16H17ClFNO3S2 and a molecular weight of 389.90 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID42947045
Molecular FormulaC16H17ClFNO3S2
Molecular Weight389.90 g/mol
Exact Mass389.03
IUPAC Name2-chloro-4-fluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1Cl)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C16H17ClFNO3S2/c17-15-9-12(18)5-6-16(15)24(20,21)19(10-13-3-1-7-22-13)11-14-4-2-8-23-14/h2,4-6,8-9,13H,1,3,7,10-11H2
InChIKeyUJHGBHGZOKVHPO-UHFFFAOYSA-N
XLogP3.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.90
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-fluoro-N-(tetrahydro-2H-pyran-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 76147248
4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9191001
4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9191002
2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9191003
2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9191004
3-chloro-4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9191019
3-chloro-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9191021
2,3,4-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9191025
2,3,4-trifluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9191028
2,6-difluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9191038
2,6-difluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9191039
4-chloro-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9191042

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 42947045) is 2-chloro-4-fluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccc(F)cc1Cl)N(Cc1cccs1)CC1CCCO1.
What is the InChIKey of 2-chloro-4-fluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is UJHGBHGZOKVHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO3S2/c17-15-9-12(18)5-6-16(15)24(20,21)19(10-13-3-1-7-22-13)11-14-4-2-8-23-14/h2,4-6,8-9,13H,1,3,7,10-11H2.
What are the key properties of 2-chloro-4-fluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
2-chloro-4-fluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 389.90 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 42947045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).