3-chloro-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide

C16H17ClFNO3S2 — CID 9191021

IUPAC3-chloro-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N(Cc1cccs1)C[C@H]1CCCO1
InChIInChI=1S/C16H17ClFNO3S2/c17-15-9-14(5-6-16(15)18)24(20,21)19(10-12-3-1-7-22-12)11-13-4-2-8-23-13/h2,4-6,8-9,12H,1,3,7,10-11H2/t12-/m1/s1
InChIKeyOTYMNBKDPPVJHZ-GFCCVEGCSA-N
MW389.90 g/mol
LogP3.91
Rot. Bonds6

About 3-chloro-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide

3-chloro-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 9191021) has the molecular formula C16H17ClFNO3S2 and a molecular weight of 389.90 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID9191021
Molecular FormulaC16H17ClFNO3S2
Molecular Weight389.90 g/mol
Exact Mass389.03
IUPAC Name3-chloro-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N(Cc1cccs1)C[C@H]1CCCO1
InChIInChI=1S/C16H17ClFNO3S2/c17-15-9-14(5-6-16(15)18)24(20,21)19(10-12-3-1-7-22-12)11-13-4-2-8-23-13/h2,4-6,8-9,12H,1,3,7,10-11H2/t12-/m1/s1
InChIKeyOTYMNBKDPPVJHZ-GFCCVEGCSA-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

Analyze 3-chloro-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 9191021) is 3-chloro-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccc(F)c(Cl)c1)N(Cc1cccs1)C[C@H]1CCCO1.
What is the InChIKey of 3-chloro-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is OTYMNBKDPPVJHZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17ClFNO3S2/c17-15-9-14(5-6-16(15)18)24(20,21)19(10-12-3-1-7-22-12)11-13-4-2-8-23-13/h2,4-6,8-9,12H,1,3,7,10-11H2/t12-/m1/s1.
What are the key properties of 3-chloro-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
3-chloro-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-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 3-chloro-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 9191021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).