4-chloro-2-fluoro-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide

C16H13ClFNO2S3 — CID 8801769

IUPAC4-chloro-2-fluoro-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1F)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C16H13ClFNO2S3/c17-12-5-6-16(15(18)9-12)24(20,21)19(10-13-3-1-7-22-13)11-14-4-2-8-23-14/h1-9H,10-11H2
InChIKeyAFRHUKDMQIUQLU-UHFFFAOYSA-N
MW401.94 g/mol
LogP4.99
Rot. Bonds6

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

4-chloro-2-fluoro-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 8801769) has the molecular formula C16H13ClFNO2S3 and a molecular weight of 401.94 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID8801769
Molecular FormulaC16H13ClFNO2S3
Molecular Weight401.94 g/mol
Exact Mass400.98
IUPAC Name4-chloro-2-fluoro-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1F)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C16H13ClFNO2S3/c17-12-5-6-16(15(18)9-12)24(20,21)19(10-13-3-1-7-22-13)11-14-4-2-8-23-14/h1-9H,10-11H2
InChIKeyAFRHUKDMQIUQLU-UHFFFAOYSA-N
XLogP4.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-fluoro-N,N-bis(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

Related Compounds

1-((4-Chlorophenyl)sulfonyl)-2-(2-thienyl)pyrrolidine
CID 2805672
(2S)-1-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 6919104
4-chloro-N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 141519190
(2R)-1-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 6929479
2-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)ethanamine
CID 2820267
4-chloro-2-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 4792768
1-[(2-Chlorophenyl)sulfonyl]-2-(2-thienyl)pyrrolidine
CID 20895702
2-chloro-4-fluoro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide
CID 35407517
4-chloro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide
CID 35407559
4-chloro-N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 2820272
[(3-Chloro-4-fluorophenyl)sulfonyl](2-thienylmethyl)amine
CID 697817
3-chloro-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 2531258

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-2-fluoro-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide (CID 8801769) is 4-chloro-2-fluoro-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-fluoro-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-2-fluoro-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccc(Cl)cc1F)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of 4-chloro-2-fluoro-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is AFRHUKDMQIUQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO2S3/c17-12-5-6-16(15(18)9-12)24(20,21)19(10-13-3-1-7-22-13)11-14-4-2-8-23-14/h1-9H,10-11H2.
What are the key properties of 4-chloro-2-fluoro-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide?
4-chloro-2-fluoro-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 401.94 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 8801769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).