3-(cyclopropylsulfamoyl)-5-fluoro-4-methylbenzoic acid

C11H12FNO4S — CID 43510377

IUPAC3-(cyclopropylsulfamoyl)-5-fluoro-4-methylbenzoic acid
SMILESCc1c(F)cc(C(=O)O)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C11H12FNO4S/c1-6-9(12)4-7(11(14)15)5-10(6)18(16,17)13-8-2-3-8/h4-5,8,13H,2-3H2,1H3,(H,14,15)
InChIKeyCIQVMOZGVWRWHR-UHFFFAOYSA-N
MW273.28 g/mol
LogP1.27
Rot. Bonds4

About 3-(cyclopropylsulfamoyl)-5-fluoro-4-methylbenzoic acid

3-(cyclopropylsulfamoyl)-5-fluoro-4-methylbenzoic acid (PubChem CID 43510377) has the molecular formula C11H12FNO4S and a molecular weight of 273.28 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-5-fluoro-4-methylbenzoic acid.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-5-fluoro-4-methylbenzoic acid
PubChem CID43510377
Molecular FormulaC11H12FNO4S
Molecular Weight273.28 g/mol
Exact Mass273.05
IUPAC Name3-(cyclopropylsulfamoyl)-5-fluoro-4-methylbenzoic acid
SMILESCc1c(F)cc(C(=O)O)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C11H12FNO4S/c1-6-9(12)4-7(11(14)15)5-10(6)18(16,17)13-8-2-3-8/h4-5,8,13H,2-3H2,1H3,(H,14,15)
InChIKeyCIQVMOZGVWRWHR-UHFFFAOYSA-N
XLogP1.27
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-methyl-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
CID 114543620
3-(cyclohexylsulfamoyl)-4,5-dimethylbenzoic acid
CID 43080100
3-(cyclopentylsulfamoyl)-4,5-difluorobenzoic acid
CID 104654330
3-fluoro-4-methyl-5-[(2-methylpropan-2-yl)oxysulfamoyl]benzoic acid
CID 82720980
3-fluoro-4-methyl-5-(2-methylpropylsulfamoyl)benzoic acid
CID 43510378
3-fluoro-4-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 79180239
3-[(2,6-difluorophenyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid
CID 71941450
3-cycloheptylsulfonyl-5-fluoro-4-methylbenzoic acid
CID 82927680
3-(cyclopropylmethylsulfonyl)-5-fluoro-4-methylbenzoic acid
CID 43560570
3-fluoro-4-(oxan-4-ylsulfamoyl)benzoic acid
CID 79187362
3-fluoro-4-(piperidin-4-ylsulfamoyl)benzoic acid
CID 79187645
3-chlorosulfonyl-5-fluoro-4-methylbenzoic acid
CID 16775741

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-5-fluoro-4-methylbenzoic acid?
The IUPAC name of 3-(cyclopropylsulfamoyl)-5-fluoro-4-methylbenzoic acid (CID 43510377) is 3-(cyclopropylsulfamoyl)-5-fluoro-4-methylbenzoic acid.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-5-fluoro-4-methylbenzoic acid?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-5-fluoro-4-methylbenzoic acid is Cc1c(F)cc(C(=O)O)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-5-fluoro-4-methylbenzoic acid?
The InChIKey is CIQVMOZGVWRWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4S/c1-6-9(12)4-7(11(14)15)5-10(6)18(16,17)13-8-2-3-8/h4-5,8,13H,2-3H2,1H3,(H,14,15).
What are the key properties of 3-(cyclopropylsulfamoyl)-5-fluoro-4-methylbenzoic acid?
3-(cyclopropylsulfamoyl)-5-fluoro-4-methylbenzoic acid has a molecular weight of 273.28 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-5-fluoro-4-methylbenzoic acid is sourced from PubChem (CID 43510377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).