1-[4-(2-methylpropylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid

C14H19NO4S — CID 115914207

IUPAC1-[4-(2-methylpropylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
SMILESCC(C)CNS(=O)(=O)c1ccc(C2(C(=O)O)CC2)cc1
InChIInChI=1S/C14H19NO4S/c1-10(2)9-15-20(18,19)12-5-3-11(4-6-12)14(7-8-14)13(16)17/h3-6,10,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyXBJDBRWSSVOAJV-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.74
Rot. Bonds6

About 1-[4-(2-methylpropylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid

1-[4-(2-methylpropylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 115914207) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-[4-(2-methylpropylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2-methylpropylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
PubChem CID115914207
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name1-[4-(2-methylpropylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
SMILESCC(C)CNS(=O)(=O)c1ccc(C2(C(=O)O)CC2)cc1
InChIInChI=1S/C14H19NO4S/c1-10(2)9-15-20(18,19)12-5-3-11(4-6-12)14(7-8-14)13(16)17/h3-6,10,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyXBJDBRWSSVOAJV-UHFFFAOYSA-N
XLogP1.74
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]phenyl]cyclopropane-1-carboxylic acid
CID 115914236
1-[4-(3-methylbutan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 115914226
1-[4-(hydroxysulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 112558591
4-(2-methylpropylsulfamoyl)benzoic acid
CID 611819
3-methyl-1-[4-(2-methylpropylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119256710
2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid
CID 14490063
1-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylic acid
CID 22504886
2-chloro-4-(2-methylpropylsulfamoyl)benzoic acid
CID 113437740
[4-(2-methylpropylsulfamoyl)phenyl]boronic acid
CID 91666739
4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide
CID 62149672
methyl 1-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]cyclopropane-1-carboxylate;hydrochloride
CID 120582901
1-[4-(oxetan-3-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 115914288

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-(2-methylpropylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid (CID 115914207) is 1-[4-(2-methylpropylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(2-methylpropylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-(2-methylpropylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid is CC(C)CNS(=O)(=O)c1ccc(C2(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[4-(2-methylpropylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is XBJDBRWSSVOAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-10(2)9-15-20(18,19)12-5-3-11(4-6-12)14(7-8-14)13(16)17/h3-6,10,15H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 1-[4-(2-methylpropylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid?
1-[4-(2-methylpropylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115914207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).