5-chloro-6-(ethylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide

C12H15ClN4O2S2 — CID 64601724

IUPAC5-chloro-6-(ethylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NC(C)c2nccs2)cc1Cl
InChIInChI=1S/C12H15ClN4O2S2/c1-3-14-11-10(13)6-9(7-16-11)21(18,19)17-8(2)12-15-4-5-20-12/h4-8,17H,3H2,1-2H3,(H,14,16)
InChIKeyYNURPQONRWTRQJ-UHFFFAOYSA-N
MW346.87 g/mol
LogP2.66
Rot. Bonds6

About 5-chloro-6-(ethylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide

5-chloro-6-(ethylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 64601724) has the molecular formula C12H15ClN4O2S2 and a molecular weight of 346.87 g/mol. Its IUPAC name is 5-chloro-6-(ethylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-(ethylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
PubChem CID64601724
Molecular FormulaC12H15ClN4O2S2
Molecular Weight346.87 g/mol
Exact Mass346.03
IUPAC Name5-chloro-6-(ethylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NC(C)c2nccs2)cc1Cl
InChIInChI=1S/C12H15ClN4O2S2/c1-3-14-11-10(13)6-9(7-16-11)21(18,19)17-8(2)12-15-4-5-20-12/h4-8,17H,3H2,1-2H3,(H,14,16)
InChIKeyYNURPQONRWTRQJ-UHFFFAOYSA-N
XLogP2.66
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.87
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(ethylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-(ethylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide (CID 64601724) is 5-chloro-6-(ethylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-(ethylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-(ethylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide is CCNc1ncc(S(=O)(=O)NC(C)c2nccs2)cc1Cl.
What is the InChIKey of 5-chloro-6-(ethylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is YNURPQONRWTRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2S2/c1-3-14-11-10(13)6-9(7-16-11)21(18,19)17-8(2)12-15-4-5-20-12/h4-8,17H,3H2,1-2H3,(H,14,16).
What are the key properties of 5-chloro-6-(ethylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide?
5-chloro-6-(ethylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 346.87 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(ethylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 64601724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).