(2-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate

C18H18FNO5S — CID 7991073

IUPAC(2-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2ccccc2F)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C18H18FNO5S/c1-24-16-9-6-12(10-17(16)26(22,23)20-14-7-8-14)18(21)25-11-13-4-2-3-5-15(13)19/h2-6,9-10,14,20H,7-8,11H2,1H3
InChIKeyBDMMUXSIZLGFMD-UHFFFAOYSA-N
MW379.41 g/mol
LogP2.63
Rot. Bonds7

About (2-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate

(2-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate (PubChem CID 7991073) has the molecular formula C18H18FNO5S and a molecular weight of 379.41 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
PubChem CID7991073
Molecular FormulaC18H18FNO5S
Molecular Weight379.41 g/mol
Exact Mass379.09
IUPAC Name(2-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2ccccc2F)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C18H18FNO5S/c1-24-16-9-6-12(10-17(16)26(22,23)20-14-7-8-14)18(21)25-11-13-4-2-3-5-15(13)19/h2-6,9-10,14,20H,7-8,11H2,1H3
InChIKeyBDMMUXSIZLGFMD-UHFFFAOYSA-N
XLogP2.63
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chloro-6-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7991085
3-(cyclopropylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 51195778
(3-methoxycarbonylphenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 8700570
(3-methylquinoxalin-2-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 46819279
(2,3-difluorophenyl)methyl 4-methoxy-3-(methylsulfamoyl)benzoate
CID 9475074
1,3-benzoxazol-2-ylmethyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 8700583
2-methylprop-2-enyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 9380316
[4-(2-cyanophenyl)phenyl]methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 30292306
(2-chlorophenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 8672183
(2-methylphenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 8672240
[2-oxo-2-(propylamino)ethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7519308
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 27702678

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
The IUPAC name of (2-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate (CID 7991073) is (2-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate.
What is the SMILES notation for (2-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
The canonical SMILES for (2-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate is COc1ccc(C(=O)OCc2ccccc2F)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of (2-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
The InChIKey is BDMMUXSIZLGFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO5S/c1-24-16-9-6-12(10-17(16)26(22,23)20-14-7-8-14)18(21)25-11-13-4-2-3-5-15(13)19/h2-6,9-10,14,20H,7-8,11H2,1H3.
What are the key properties of (2-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
(2-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate has a molecular weight of 379.41 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate is sourced from PubChem (CID 7991073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).