3-[(1-methylcyclobutyl)sulfamoyl]benzoic acid

C12H15NO4S — CID 113485339

IUPAC3-[(1-methylcyclobutyl)sulfamoyl]benzoic acid
SMILESCC1(NS(=O)(=O)c2cccc(C(=O)O)c2)CCC1
InChIInChI=1S/C12H15NO4S/c1-12(6-3-7-12)13-18(16,17)10-5-2-4-9(8-10)11(14)15/h2,4-5,8,13H,3,6-7H2,1H3,(H,14,15)
InChIKeyBPAMJYZTGJLCAK-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.61
Rot. Bonds4

About 3-[(1-methylcyclobutyl)sulfamoyl]benzoic acid

3-[(1-methylcyclobutyl)sulfamoyl]benzoic acid (PubChem CID 113485339) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 3-[(1-methylcyclobutyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(1-methylcyclobutyl)sulfamoyl]benzoic acid
PubChem CID113485339
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name3-[(1-methylcyclobutyl)sulfamoyl]benzoic acid
SMILESCC1(NS(=O)(=O)c2cccc(C(=O)O)c2)CCC1
InChIInChI=1S/C12H15NO4S/c1-12(6-3-7-12)13-18(16,17)10-5-2-4-9(8-10)11(14)15/h2,4-5,8,13H,3,6-7H2,1H3,(H,14,15)
InChIKeyBPAMJYZTGJLCAK-UHFFFAOYSA-N
XLogP1.61
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-methylcyclobutyl)sulfamoyl]benzenecarbothioamide
CID 113485525
3-(hydroxymethyl)-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113486170
3-[(1-methylcyclopentyl)sulfamoyl]benzenesulfonyl fluoride
CID 114958356
3-[(1-methylcyclopentyl)sulfamoylmethyl]benzoic acid
CID 61365990
3-(hydroxysulfamoyl)benzoic acid
CID 10727486
N-(1-methylcyclopropyl)benzenesulfonamide
CID 67608807
3-acetyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide
CID 107423148
N-[1-(hydroxymethyl)cyclopropyl]-3-propanoylbenzenesulfonamide
CID 115902801
3-bromo-N-(1-methylcyclopropyl)benzenesulfonamide
CID 115634617
3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756
N-(3-methyloxolan-3-yl)-3-propanoylbenzenesulfonamide
CID 115767116
N-(1-methylcyclobutyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 168726719

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylcyclobutyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-[(1-methylcyclobutyl)sulfamoyl]benzoic acid (CID 113485339) is 3-[(1-methylcyclobutyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[(1-methylcyclobutyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-[(1-methylcyclobutyl)sulfamoyl]benzoic acid is CC1(NS(=O)(=O)c2cccc(C(=O)O)c2)CCC1.
What is the InChIKey of 3-[(1-methylcyclobutyl)sulfamoyl]benzoic acid?
The InChIKey is BPAMJYZTGJLCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-12(6-3-7-12)13-18(16,17)10-5-2-4-9(8-10)11(14)15/h2,4-5,8,13H,3,6-7H2,1H3,(H,14,15).
What are the key properties of 3-[(1-methylcyclobutyl)sulfamoyl]benzoic acid?
3-[(1-methylcyclobutyl)sulfamoyl]benzoic acid has a molecular weight of 269.32 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylcyclobutyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 113485339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).