5-chloro-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide

C14H16ClFN2O2S2 — CID 18589477

IUPAC5-chloro-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1ccc(Cl)s1)c1ccc(F)cc1
InChIInChI=1S/C14H16ClFN2O2S2/c1-18(2)12(10-3-5-11(16)6-4-10)9-17-22(19,20)14-8-7-13(15)21-14/h3-8,12,17H,9H2,1-2H3
InChIKeyJJQFIXQIPJHLIS-UHFFFAOYSA-N
MW362.88 g/mol
LogP3.12
Rot. Bonds6

About 5-chloro-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide

5-chloro-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 18589477) has the molecular formula C14H16ClFN2O2S2 and a molecular weight of 362.88 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
PubChem CID18589477
Molecular FormulaC14H16ClFN2O2S2
Molecular Weight362.88 g/mol
Exact Mass362.03
IUPAC Name5-chloro-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1ccc(Cl)s1)c1ccc(F)cc1
InChIInChI=1S/C14H16ClFN2O2S2/c1-18(2)12(10-3-5-11(16)6-4-10)9-17-22(19,20)14-8-7-13(15)21-14/h3-8,12,17H,9H2,1-2H3
InChIKeyJJQFIXQIPJHLIS-UHFFFAOYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide (CID 18589477) is 5-chloro-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide is CN(C)C(CNS(=O)(=O)c1ccc(Cl)s1)c1ccc(F)cc1.
What is the InChIKey of 5-chloro-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is JJQFIXQIPJHLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O2S2/c1-18(2)12(10-3-5-11(16)6-4-10)9-17-22(19,20)14-8-7-13(15)21-14/h3-8,12,17H,9H2,1-2H3.
What are the key properties of 5-chloro-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 362.88 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 18589477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).