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

C11H9ClFNO2S2 — CID 697817

IUPAC3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccs1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H9ClFNO2S2/c12-10-6-9(3-4-11(10)13)18(15,16)14-7-8-2-1-5-17-8/h1-6,14H,7H2
InChIKeyKVTQHZJSPPYTRO-UHFFFAOYSA-N
MW305.78 g/mol
LogP3.02
Rot. Bonds4

About 3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide

3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 697817) has the molecular formula C11H9ClFNO2S2 and a molecular weight of 305.78 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID697817
Molecular FormulaC11H9ClFNO2S2
Molecular Weight305.78 g/mol
Exact Mass304.97
IUPAC Name3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccs1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H9ClFNO2S2/c12-10-6-9(3-4-11(10)13)18(15,16)14-7-8-2-1-5-17-8/h1-6,14H,7H2
InChIKeyKVTQHZJSPPYTRO-UHFFFAOYSA-N
XLogP3.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]benzenesulfonamide
CID 141518719
Benzenesulfonamide, N-(2-thienylmethyl)-
CID 2820601
2-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)ethanamine
CID 2820267
2-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 3732014
5-chloro-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 3822285
4-chloro-2-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 4792768
3-chloro-4-fluoro-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 25869464
JAR-KUA-41bd5a3d-10
CID 156906232
N-[(2-chlorophenyl)methyl]thiophene-2-sulfonamide
CID 971284
4-chloro-N-[2-(4-fluorobenzenesulfonyl)-2-(thiophen-2-yl)ethyl]benzene-1-sulfonamide
CID 16829664
3-chloro-4-fluoro-N-((1-(thiophen-2-ylmethyl)piperidin-4-yl)methyl)benzenesulfonamide
CID 16888277
2-fluoro-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 25869441

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 697817) is 3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1cccs1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is KVTQHZJSPPYTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO2S2/c12-10-6-9(3-4-11(10)13)18(15,16)14-7-8-2-1-5-17-8/h1-6,14H,7H2.
What are the key properties of 3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 305.78 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 697817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).