5-chloro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-sulfonamide

C16H14ClFN2O2S3 — CID 18563020

IUPAC5-chloro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-sulfonamide
SMILESCc1nc(-c2ccc(F)cc2)sc1CCNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H14ClFN2O2S3/c1-10-13(23-16(20-10)11-2-4-12(18)5-3-11)8-9-19-25(21,22)15-7-6-14(17)24-15/h2-7,19H,8-9H2,1H3
InChIKeyRFHWUKDVPVRFJC-UHFFFAOYSA-N
MW416.95 g/mol
LogP4.49
Rot. Bonds6

About 5-chloro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-sulfonamide

5-chloro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 18563020) has the molecular formula C16H14ClFN2O2S3 and a molecular weight of 416.95 g/mol. Its IUPAC name is 5-chloro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-sulfonamide
PubChem CID18563020
Molecular FormulaC16H14ClFN2O2S3
Molecular Weight416.95 g/mol
Exact Mass415.99
IUPAC Name5-chloro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-sulfonamide
SMILESCc1nc(-c2ccc(F)cc2)sc1CCNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H14ClFN2O2S3/c1-10-13(23-16(20-10)11-2-4-12(18)5-3-11)8-9-19-25(21,22)15-7-6-14(17)24-15/h2-7,19H,8-9H2,1H3
InChIKeyRFHWUKDVPVRFJC-UHFFFAOYSA-N
XLogP4.49
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-sulfonamide (CID 18563020) is 5-chloro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-sulfonamide is Cc1nc(-c2ccc(F)cc2)sc1CCNS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is RFHWUKDVPVRFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O2S3/c1-10-13(23-16(20-10)11-2-4-12(18)5-3-11)8-9-19-25(21,22)15-7-6-14(17)24-15/h2-7,19H,8-9H2,1H3.
What are the key properties of 5-chloro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 416.95 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 18563020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).