1-[4-(3-methylbutan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid

C15H21NO4S — CID 115914226

IUPAC1-[4-(3-methylbutan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
SMILESCC(C)C(C)NS(=O)(=O)c1ccc(C2(C(=O)O)CC2)cc1
InChIInChI=1S/C15H21NO4S/c1-10(2)11(3)16-21(19,20)13-6-4-12(5-7-13)15(8-9-15)14(17)18/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyUQVBCJYZKLZJAX-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.13
Rot. Bonds6

About 1-[4-(3-methylbutan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid

1-[4-(3-methylbutan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 115914226) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 1-[4-(3-methylbutan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(3-methylbutan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
PubChem CID115914226
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name1-[4-(3-methylbutan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
SMILESCC(C)C(C)NS(=O)(=O)c1ccc(C2(C(=O)O)CC2)cc1
InChIInChI=1S/C15H21NO4S/c1-10(2)11(3)16-21(19,20)13-6-4-12(5-7-13)15(8-9-15)14(17)18/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyUQVBCJYZKLZJAX-UHFFFAOYSA-N
XLogP2.13
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-methylpropylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 115914207
1-[4-(hydroxysulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 112558591
4-(3-methylbutan-2-ylsulfamoyl)benzoic acid
CID 21307132
1-[4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]phenyl]cyclopropane-1-carboxylic acid
CID 115914236
1-[4-(2,3-dimethylbutanoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 115912872
1-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylic acid
CID 22504886
1-[4-(oxetan-3-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 115914288
4-(3-methylbutan-2-ylsulfamoyl)benzenesulfonyl chloride
CID 43131428
1-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 103930629
4-tert-butyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 42999390
4-(ethylamino)-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 62143037
4-hydrazinyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43455143

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylbutan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-(3-methylbutan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid (CID 115914226) is 1-[4-(3-methylbutan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(3-methylbutan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-(3-methylbutan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid is CC(C)C(C)NS(=O)(=O)c1ccc(C2(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[4-(3-methylbutan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is UQVBCJYZKLZJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-10(2)11(3)16-21(19,20)13-6-4-12(5-7-13)15(8-9-15)14(17)18/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 1-[4-(3-methylbutan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid?
1-[4-(3-methylbutan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 311.40 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylbutan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115914226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).