4-(cyclobutylmethylsulfamoyl)benzoic acid

C12H15NO4S — CID 43275322

IUPAC4-(cyclobutylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCC2CCC2)cc1
InChIInChI=1S/C12H15NO4S/c14-12(15)10-4-6-11(7-5-10)18(16,17)13-8-9-2-1-3-9/h4-7,9,13H,1-3,8H2,(H,14,15)
InChIKeyURPDECIHWSXJHO-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.46
Rot. Bonds5

About 4-(cyclobutylmethylsulfamoyl)benzoic acid

4-(cyclobutylmethylsulfamoyl)benzoic acid (PubChem CID 43275322) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-(cyclobutylmethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-(cyclobutylmethylsulfamoyl)benzoic acid
PubChem CID43275322
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name4-(cyclobutylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCC2CCC2)cc1
InChIInChI=1S/C12H15NO4S/c14-12(15)10-4-6-11(7-5-10)18(16,17)13-8-9-2-1-3-9/h4-7,9,13H,1-3,8H2,(H,14,15)
InChIKeyURPDECIHWSXJHO-UHFFFAOYSA-N
XLogP1.46
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclohexylmethylsulfamoyl)benzoic acid
CID 18524305
4-[[(3S)-oxan-3-yl]methylsulfamoyl]benzoic acid
CID 51892056
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
4-[[(1R,2S)-2-carboxycyclohexyl]methylsulfamoyl]benzoic acid
CID 108781394
2-[4-(cyclobutylmethylsulfamoyl)phenoxy]acetic acid
CID 43275314
N-(cyclobutylmethyl)-4-hydrazinylbenzenesulfonamide
CID 43455189
5-(cyclohexylmethylsulfamoyl)-2-hydroxybenzoic acid
CID 43091618
N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537
2-[4-(cyclobutylmethylsulfamoyl)phenyl]ethanethioamide
CID 79184823
5-(cyclohexylmethylsulfamoyl)-2-methylbenzoic acid
CID 43238144
4-(1-aminoethyl)-N-(cyclobutylmethyl)benzenesulfonamide
CID 43298854
4-acetyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 47320408

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethylsulfamoyl)benzoic acid?
The IUPAC name of 4-(cyclobutylmethylsulfamoyl)benzoic acid (CID 43275322) is 4-(cyclobutylmethylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-(cyclobutylmethylsulfamoyl)benzoic acid?
The canonical SMILES for 4-(cyclobutylmethylsulfamoyl)benzoic acid is O=C(O)c1ccc(S(=O)(=O)NCC2CCC2)cc1.
What is the InChIKey of 4-(cyclobutylmethylsulfamoyl)benzoic acid?
The InChIKey is URPDECIHWSXJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c14-12(15)10-4-6-11(7-5-10)18(16,17)13-8-9-2-1-3-9/h4-7,9,13H,1-3,8H2,(H,14,15).
What are the key properties of 4-(cyclobutylmethylsulfamoyl)benzoic acid?
4-(cyclobutylmethylsulfamoyl)benzoic acid has a molecular weight of 269.32 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethylsulfamoyl)benzoic acid is sourced from PubChem (CID 43275322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).