3-(4-methylpentan-2-ylsulfamoyl)benzoic acid

C13H19NO4S — CID 43372085

IUPAC3-(4-methylpentan-2-ylsulfamoyl)benzoic acid
SMILESCC(C)CC(C)NS(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C13H19NO4S/c1-9(2)7-10(3)14-19(17,18)12-6-4-5-11(8-12)13(15)16/h4-6,8-10,14H,7H2,1-3H3,(H,15,16)
InChIKeyUSWAEJIOLXPZKH-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.10
Rot. Bonds6

About 3-(4-methylpentan-2-ylsulfamoyl)benzoic acid

3-(4-methylpentan-2-ylsulfamoyl)benzoic acid (PubChem CID 43372085) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-(4-methylpentan-2-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name3-(4-methylpentan-2-ylsulfamoyl)benzoic acid
PubChem CID43372085
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name3-(4-methylpentan-2-ylsulfamoyl)benzoic acid
SMILESCC(C)CC(C)NS(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C13H19NO4S/c1-9(2)7-10(3)14-19(17,18)12-6-4-5-11(8-12)13(15)16/h4-6,8-10,14H,7H2,1-3H3,(H,15,16)
InChIKeyUSWAEJIOLXPZKH-UHFFFAOYSA-N
XLogP2.10
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methoxypropan-2-ylsulfamoyl)benzoic acid
CID 16768421
3-(heptan-2-ylsulfamoyl)benzoic acid
CID 43398472
3-[(1-carboxy-2-methylpropyl)sulfamoyl]benzoic acid
CID 3476550
3-(butan-2-ylsulfamoyl)-N-tert-butylbenzamide
CID 109062923
3-(butan-2-ylsulfamoyl)benzenecarbothioamide
CID 24711607
3-(1-hydroxypropan-2-ylsulfamoyl)benzamide
CID 174892675
3-[(3-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid
CID 65034105
2-methoxy-5-(4-methylpentan-2-ylsulfamoyl)benzoic acid
CID 43372088
3-(hydroxysulfamoyl)benzoic acid
CID 10727486
N-pentan-2-yl-3-propanoylbenzenesulfonamide
CID 60872867
3-(butan-2-ylsulfamoyl)-N-butylbenzamide
CID 109062541
N-benzyl-3-(butan-2-ylsulfamoyl)-N-methylbenzamide
CID 109062895

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpentan-2-ylsulfamoyl)benzoic acid?
The IUPAC name of 3-(4-methylpentan-2-ylsulfamoyl)benzoic acid (CID 43372085) is 3-(4-methylpentan-2-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 3-(4-methylpentan-2-ylsulfamoyl)benzoic acid?
The canonical SMILES for 3-(4-methylpentan-2-ylsulfamoyl)benzoic acid is CC(C)CC(C)NS(=O)(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-(4-methylpentan-2-ylsulfamoyl)benzoic acid?
The InChIKey is USWAEJIOLXPZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-9(2)7-10(3)14-19(17,18)12-6-4-5-11(8-12)13(15)16/h4-6,8-10,14H,7H2,1-3H3,(H,15,16).
What are the key properties of 3-(4-methylpentan-2-ylsulfamoyl)benzoic acid?
3-(4-methylpentan-2-ylsulfamoyl)benzoic acid has a molecular weight of 285.37 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentan-2-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 43372085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).