4-amino-5-(difluoromethyl)-6-methoxypyridine-2-sulfonyl chloride

C7H7ClF2N2O3S — CID 118806455

IUPAC4-amino-5-(difluoromethyl)-6-methoxypyridine-2-sulfonyl chloride
SMILESCOc1nc(S(=O)(=O)Cl)cc(N)c1C(F)F
InChIInChI=1S/C7H7ClF2N2O3S/c1-15-7-5(6(9)10)3(11)2-4(12-7)16(8,13)14/h2,6H,1H3,(H2,11,12)
InChIKeyNHEMQDFKDORJOW-UHFFFAOYSA-N
MW272.66 g/mol
LogP1.54
Rot. Bonds3

About 4-amino-5-(difluoromethyl)-6-methoxypyridine-2-sulfonyl chloride

4-amino-5-(difluoromethyl)-6-methoxypyridine-2-sulfonyl chloride (PubChem CID 118806455) has the molecular formula C7H7ClF2N2O3S and a molecular weight of 272.66 g/mol. Its IUPAC name is 4-amino-5-(difluoromethyl)-6-methoxypyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name4-amino-5-(difluoromethyl)-6-methoxypyridine-2-sulfonyl chloride
PubChem CID118806455
Molecular FormulaC7H7ClF2N2O3S
Molecular Weight272.66 g/mol
Exact Mass271.98
IUPAC Name4-amino-5-(difluoromethyl)-6-methoxypyridine-2-sulfonyl chloride
SMILESCOc1nc(S(=O)(=O)Cl)cc(N)c1C(F)F
InChIInChI=1S/C7H7ClF2N2O3S/c1-15-7-5(6(9)10)3(11)2-4(12-7)16(8,13)14/h2,6H,1H3,(H2,11,12)
InChIKeyNHEMQDFKDORJOW-UHFFFAOYSA-N
XLogP1.54
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.66
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-6-chloro-5-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 118828999
4-(difluoromethyl)-5,6-dimethoxypyridine-2-sulfonyl chloride
CID 118824318
4-amino-6-chloro-5-(difluoromethyl)pyridine-2-sulfonamide
CID 130103126
6-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride
CID 130068995
4-amino-5-iodo-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 118845439
6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-sulfonyl chloride
CID 118854766
6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131315423
4-amino-6-(difluoromethyl)-2-methoxypyridine-3-sulfonamide
CID 118817873
3-(difluoromethyl)-2-methoxy-5-methylpyridine-4-sulfonyl chloride
CID 130088007
4-amino-5-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride
CID 118817786
6-amino-4-(difluoromethyl)-5-fluoropyridine-2-sulfonyl chloride
CID 130104394
4-bromo-6-chloro-5-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 118811600

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(difluoromethyl)-6-methoxypyridine-2-sulfonyl chloride?
The IUPAC name of 4-amino-5-(difluoromethyl)-6-methoxypyridine-2-sulfonyl chloride (CID 118806455) is 4-amino-5-(difluoromethyl)-6-methoxypyridine-2-sulfonyl chloride.
What is the SMILES notation for 4-amino-5-(difluoromethyl)-6-methoxypyridine-2-sulfonyl chloride?
The canonical SMILES for 4-amino-5-(difluoromethyl)-6-methoxypyridine-2-sulfonyl chloride is COc1nc(S(=O)(=O)Cl)cc(N)c1C(F)F.
What is the InChIKey of 4-amino-5-(difluoromethyl)-6-methoxypyridine-2-sulfonyl chloride?
The InChIKey is NHEMQDFKDORJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2N2O3S/c1-15-7-5(6(9)10)3(11)2-4(12-7)16(8,13)14/h2,6H,1H3,(H2,11,12).
What are the key properties of 4-amino-5-(difluoromethyl)-6-methoxypyridine-2-sulfonyl chloride?
4-amino-5-(difluoromethyl)-6-methoxypyridine-2-sulfonyl chloride has a molecular weight of 272.66 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(difluoromethyl)-6-methoxypyridine-2-sulfonyl chloride is sourced from PubChem (CID 118806455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).