5-chloro-6-[(3-methylimidazol-4-yl)methoxy]pyridine-3-sulfonamide

C10H11ClN4O3S — CID 67227128

IUPAC5-chloro-6-[(3-methylimidazol-4-yl)methoxy]pyridine-3-sulfonamide
SMILESCn1cncc1COc1ncc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C10H11ClN4O3S/c1-15-6-13-3-7(15)5-18-10-9(11)2-8(4-14-10)19(12,16)17/h2-4,6H,5H2,1H3,(H2,12,16,17)
InChIKeyDCOLJWLWNAPBOV-UHFFFAOYSA-N
MW302.74 g/mol
LogP0.69
Rot. Bonds4

About 5-chloro-6-[(3-methylimidazol-4-yl)methoxy]pyridine-3-sulfonamide

5-chloro-6-[(3-methylimidazol-4-yl)methoxy]pyridine-3-sulfonamide (PubChem CID 67227128) has the molecular formula C10H11ClN4O3S and a molecular weight of 302.74 g/mol. Its IUPAC name is 5-chloro-6-[(3-methylimidazol-4-yl)methoxy]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-[(3-methylimidazol-4-yl)methoxy]pyridine-3-sulfonamide
PubChem CID67227128
Molecular FormulaC10H11ClN4O3S
Molecular Weight302.74 g/mol
Exact Mass302.02
IUPAC Name5-chloro-6-[(3-methylimidazol-4-yl)methoxy]pyridine-3-sulfonamide
SMILESCn1cncc1COc1ncc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C10H11ClN4O3S/c1-15-6-13-3-7(15)5-18-10-9(11)2-8(4-14-10)19(12,16)17/h2-4,6H,5H2,1H3,(H2,12,16,17)
InChIKeyDCOLJWLWNAPBOV-UHFFFAOYSA-N
XLogP0.69
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(3-methylimidazol-4-yl)methoxy]pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-[(3-methylimidazol-4-yl)methoxy]pyridine-3-sulfonamide (CID 67227128) is 5-chloro-6-[(3-methylimidazol-4-yl)methoxy]pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-[(3-methylimidazol-4-yl)methoxy]pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-[(3-methylimidazol-4-yl)methoxy]pyridine-3-sulfonamide is Cn1cncc1COc1ncc(S(N)(=O)=O)cc1Cl.
What is the InChIKey of 5-chloro-6-[(3-methylimidazol-4-yl)methoxy]pyridine-3-sulfonamide?
The InChIKey is DCOLJWLWNAPBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O3S/c1-15-6-13-3-7(15)5-18-10-9(11)2-8(4-14-10)19(12,16)17/h2-4,6H,5H2,1H3,(H2,12,16,17).
What are the key properties of 5-chloro-6-[(3-methylimidazol-4-yl)methoxy]pyridine-3-sulfonamide?
5-chloro-6-[(3-methylimidazol-4-yl)methoxy]pyridine-3-sulfonamide has a molecular weight of 302.74 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(3-methylimidazol-4-yl)methoxy]pyridine-3-sulfonamide is sourced from PubChem (CID 67227128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).