methyl 2-chloro-5-[[(1R)-1-cyclopropyl-2,2-difluoroethyl]sulfamoyl]furan-3-carboxylate

C11H12ClF2NO5S — CID 167942813

IUPACmethyl 2-chloro-5-[[(1R)-1-cyclopropyl-2,2-difluoroethyl]sulfamoyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)N[C@@H](C(F)F)C2CC2)oc1Cl
InChIInChI=1S/C11H12ClF2NO5S/c1-19-11(16)6-4-7(20-9(6)12)21(17,18)15-8(10(13)14)5-2-3-5/h4-5,8,10,15H,2-3H2,1H3/t8-/m1/s1
InChIKeyCIXYRWINADKCON-MRVPVSSYSA-N
MW343.74 g/mol
LogP2.04
Rot. Bonds6

About methyl 2-chloro-5-[[(1R)-1-cyclopropyl-2,2-difluoroethyl]sulfamoyl]furan-3-carboxylate

methyl 2-chloro-5-[[(1R)-1-cyclopropyl-2,2-difluoroethyl]sulfamoyl]furan-3-carboxylate (PubChem CID 167942813) has the molecular formula C11H12ClF2NO5S and a molecular weight of 343.74 g/mol. Its IUPAC name is methyl 2-chloro-5-[[(1R)-1-cyclopropyl-2,2-difluoroethyl]sulfamoyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[[(1R)-1-cyclopropyl-2,2-difluoroethyl]sulfamoyl]furan-3-carboxylate
PubChem CID167942813
Molecular FormulaC11H12ClF2NO5S
Molecular Weight343.74 g/mol
Exact Mass343.01
IUPAC Namemethyl 2-chloro-5-[[(1R)-1-cyclopropyl-2,2-difluoroethyl]sulfamoyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)N[C@@H](C(F)F)C2CC2)oc1Cl
InChIInChI=1S/C11H12ClF2NO5S/c1-19-11(16)6-4-7(20-9(6)12)21(17,18)15-8(10(13)14)5-2-3-5/h4-5,8,10,15H,2-3H2,1H3/t8-/m1/s1
InChIKeyCIXYRWINADKCON-MRVPVSSYSA-N
XLogP2.04
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.74
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-chloro-5-[[(1R)-1-cyclopropyl-2,2-difluoroethyl]sulfamoyl]furan-3-carboxylate with MolForge

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Related Compounds

methyl 5-[(2-amino-1-cyclopropylethyl)sulfamoyl]furan-2-carboxylate
CID 119986857
(2R)-2-[(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonylamino]butanoic acid
CID 167848056
3-methoxy-2-[(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonylamino]propanoic acid
CID 126803471
methyl 2-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoate
CID 102920549
methyl 2-[[(1R)-1-cyclopentylethyl]sulfamoyl]benzoate
CID 102920550
methyl 2-chloro-5-propanoylfuran-3-carboxylate
CID 163465089
methyl 2-(2-cyclopropylpropylsulfamoyl)benzoate
CID 103833526
methyl 4-(dicyclopropylmethylsulfamoyl)benzoate
CID 31847332
methyl 4-amino-2-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]benzoate
CID 102931236
methyl 4-fluoro-2-(oxan-4-ylsulfamoyl)benzoate
CID 103833498
methyl 2-bromo-5-[(1-cyclopropyl-3-methoxy-3-oxopropyl)sulfamoyl]benzoate
CID 71858267
methyl 3-chloro-5-cyclopropyl-4-(2,4-difluorophenyl)-2-propan-2-yloxybenzoate
CID 118037881

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[[(1R)-1-cyclopropyl-2,2-difluoroethyl]sulfamoyl]furan-3-carboxylate?
The IUPAC name of methyl 2-chloro-5-[[(1R)-1-cyclopropyl-2,2-difluoroethyl]sulfamoyl]furan-3-carboxylate (CID 167942813) is methyl 2-chloro-5-[[(1R)-1-cyclopropyl-2,2-difluoroethyl]sulfamoyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-chloro-5-[[(1R)-1-cyclopropyl-2,2-difluoroethyl]sulfamoyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-chloro-5-[[(1R)-1-cyclopropyl-2,2-difluoroethyl]sulfamoyl]furan-3-carboxylate is COC(=O)c1cc(S(=O)(=O)N[C@@H](C(F)F)C2CC2)oc1Cl.
What is the InChIKey of methyl 2-chloro-5-[[(1R)-1-cyclopropyl-2,2-difluoroethyl]sulfamoyl]furan-3-carboxylate?
The InChIKey is CIXYRWINADKCON-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12ClF2NO5S/c1-19-11(16)6-4-7(20-9(6)12)21(17,18)15-8(10(13)14)5-2-3-5/h4-5,8,10,15H,2-3H2,1H3/t8-/m1/s1.
What are the key properties of methyl 2-chloro-5-[[(1R)-1-cyclopropyl-2,2-difluoroethyl]sulfamoyl]furan-3-carboxylate?
methyl 2-chloro-5-[[(1R)-1-cyclopropyl-2,2-difluoroethyl]sulfamoyl]furan-3-carboxylate has a molecular weight of 343.74 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[[(1R)-1-cyclopropyl-2,2-difluoroethyl]sulfamoyl]furan-3-carboxylate is sourced from PubChem (CID 167942813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).