5-chloro-2-fluoro-4-(2-piperidin-2-ylethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide

C16H20ClFN4O2S2 — CID 134477148

IUPAC5-chloro-2-fluoro-4-(2-piperidin-2-ylethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1cc(Cl)c(NCCC2CCCCN2)cc1F
InChIInChI=1S/C16H20ClFN4O2S2/c17-12-9-15(26(23,24)22-16-21-7-8-25-16)13(18)10-14(12)20-6-4-11-3-1-2-5-19-11/h7-11,19-20H,1-6H2,(H,21,22)
InChIKeyFZJRGTLSZSRPGF-UHFFFAOYSA-N
MW418.95 g/mol
LogP3.68
Rot. Bonds7

About 5-chloro-2-fluoro-4-(2-piperidin-2-ylethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide

5-chloro-2-fluoro-4-(2-piperidin-2-ylethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 134477148) has the molecular formula C16H20ClFN4O2S2 and a molecular weight of 418.95 g/mol. Its IUPAC name is 5-chloro-2-fluoro-4-(2-piperidin-2-ylethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-4-(2-piperidin-2-ylethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID134477148
Molecular FormulaC16H20ClFN4O2S2
Molecular Weight418.95 g/mol
Exact Mass418.07
IUPAC Name5-chloro-2-fluoro-4-(2-piperidin-2-ylethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1cc(Cl)c(NCCC2CCCCN2)cc1F
InChIInChI=1S/C16H20ClFN4O2S2/c17-12-9-15(26(23,24)22-16-21-7-8-25-16)13(18)10-14(12)20-6-4-11-3-1-2-5-19-11/h7-11,19-20H,1-6H2,(H,21,22)
InChIKeyFZJRGTLSZSRPGF-UHFFFAOYSA-N
XLogP3.68
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.95
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-4-(2-piperidin-2-ylethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-fluoro-4-(2-piperidin-2-ylethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 134477148) is 5-chloro-2-fluoro-4-(2-piperidin-2-ylethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-fluoro-4-(2-piperidin-2-ylethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-fluoro-4-(2-piperidin-2-ylethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCCC2CCCCN2)cc1F.
What is the InChIKey of 5-chloro-2-fluoro-4-(2-piperidin-2-ylethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is FZJRGTLSZSRPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN4O2S2/c17-12-9-15(26(23,24)22-16-21-7-8-25-16)13(18)10-14(12)20-6-4-11-3-1-2-5-19-11/h7-11,19-20H,1-6H2,(H,21,22).
What are the key properties of 5-chloro-2-fluoro-4-(2-piperidin-2-ylethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
5-chloro-2-fluoro-4-(2-piperidin-2-ylethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 418.95 g/mol, XLogP of 3.68, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-4-(2-piperidin-2-ylethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 134477148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).