5-chloro-6-[[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]amino]-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide

C16H13Cl2FN4O2S2 — CID 146430499

IUPAC5-chloro-6-[[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]amino]-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide
SMILESC[C@H](Nc1ncc(S(=O)(=O)Nc2cscn2)cc1Cl)c1cc(Cl)ccc1F
InChIInChI=1S/C16H13Cl2FN4O2S2/c1-9(12-4-10(17)2-3-14(12)19)22-16-13(18)5-11(6-20-16)27(24,25)23-15-7-26-8-21-15/h2-9,23H,1H3,(H,20,22)/t9-/m0/s1
InChIKeyLHWVSGXBCTXNBH-VIFPVBQESA-N
MW447.34 g/mol
LogP4.96
Rot. Bonds6

About 5-chloro-6-[[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]amino]-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide

5-chloro-6-[[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]amino]-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide (PubChem CID 146430499) has the molecular formula C16H13Cl2FN4O2S2 and a molecular weight of 447.34 g/mol. Its IUPAC name is 5-chloro-6-[[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]amino]-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-[[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]amino]-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide
PubChem CID146430499
Molecular FormulaC16H13Cl2FN4O2S2
Molecular Weight447.34 g/mol
Exact Mass445.98
IUPAC Name5-chloro-6-[[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]amino]-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide
SMILESC[C@H](Nc1ncc(S(=O)(=O)Nc2cscn2)cc1Cl)c1cc(Cl)ccc1F
InChIInChI=1S/C16H13Cl2FN4O2S2/c1-9(12-4-10(17)2-3-14(12)19)22-16-13(18)5-11(6-20-16)27(24,25)23-15-7-26-8-21-15/h2-9,23H,1H3,(H,20,22)/t9-/m0/s1
InChIKeyLHWVSGXBCTXNBH-VIFPVBQESA-N
XLogP4.96
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.34
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]amino]-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-[[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]amino]-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide (CID 146430499) is 5-chloro-6-[[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]amino]-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-[[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]amino]-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-[[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]amino]-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide is C[C@H](Nc1ncc(S(=O)(=O)Nc2cscn2)cc1Cl)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-6-[[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]amino]-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide?
The InChIKey is LHWVSGXBCTXNBH-VIFPVBQESA-N. The full InChI is InChI=1S/C16H13Cl2FN4O2S2/c1-9(12-4-10(17)2-3-14(12)19)22-16-13(18)5-11(6-20-16)27(24,25)23-15-7-26-8-21-15/h2-9,23H,1H3,(H,20,22)/t9-/m0/s1.
What are the key properties of 5-chloro-6-[[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]amino]-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide?
5-chloro-6-[[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]amino]-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide has a molecular weight of 447.34 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]amino]-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 146430499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).