5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide

C7H10ClF2N3O3S — CID 103836899

IUPAC5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC(O)C(F)F)c1Cl
InChIInChI=1S/C7H10ClF2N3O3S/c1-13-3-11-7(5(13)8)17(15,16)12-2-4(14)6(9)10/h3-4,6,12,14H,2H2,1H3
InChIKeyLWVBSOYJYAYCMQ-UHFFFAOYSA-N
MW289.69 g/mol
LogP-0.02
Rot. Bonds5

About 5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide

5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide (PubChem CID 103836899) has the molecular formula C7H10ClF2N3O3S and a molecular weight of 289.69 g/mol. Its IUPAC name is 5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide
PubChem CID103836899
Molecular FormulaC7H10ClF2N3O3S
Molecular Weight289.69 g/mol
Exact Mass289.01
IUPAC Name5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC(O)C(F)F)c1Cl
InChIInChI=1S/C7H10ClF2N3O3S/c1-13-3-11-7(5(13)8)17(15,16)12-2-4(14)6(9)10/h3-4,6,12,14H,2H2,1H3
InChIKeyLWVBSOYJYAYCMQ-UHFFFAOYSA-N
XLogP-0.02
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.69
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide (CID 103836899) is 5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCC(O)C(F)F)c1Cl.
What is the InChIKey of 5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is LWVBSOYJYAYCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF2N3O3S/c1-13-3-11-7(5(13)8)17(15,16)12-2-4(14)6(9)10/h3-4,6,12,14H,2H2,1H3.
What are the key properties of 5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide?
5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 289.69 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 103836899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).