2-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid

C14H19NO5S — CID 63743835

IUPAC2-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
SMILESCc1c(C(=O)O)cccc1S(=O)(=O)NCCC1CCCO1
InChIInChI=1S/C14H19NO5S/c1-10-12(14(16)17)5-2-6-13(10)21(18,19)15-8-7-11-4-3-9-20-11/h2,5-6,11,15H,3-4,7-9H2,1H3,(H,16,17)
InChIKeyJZDXHHRPYXUPPG-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.54
Rot. Bonds6

About 2-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid

2-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid (PubChem CID 63743835) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
PubChem CID63743835
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Name2-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
SMILESCc1c(C(=O)O)cccc1S(=O)(=O)NCCC1CCCO1
InChIInChI=1S/C14H19NO5S/c1-10-12(14(16)17)5-2-6-13(10)21(18,19)15-8-7-11-4-3-9-20-11/h2,5-6,11,15H,3-4,7-9H2,1H3,(H,16,17)
InChIKeyJZDXHHRPYXUPPG-UHFFFAOYSA-N
XLogP1.54
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[2-(oxolan-2-yl)ethylsulfonyl]benzoic acid
CID 81444904
2-amino-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 61125684
2-bromo-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 51076370
N-[4-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetamide
CID 51076373
2-hydroxy-5-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
CID 60727298
4-amino-2-methyl-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 61127442
ethyl 4-[2-[(2R)-oxolan-2-yl]ethylsulfamoyl]benzoate
CID 94814688
4-[2-[(2R)-oxolan-2-yl]ethylamino]quinoline-8-carboxylic acid
CID 167745414
2-[4-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetic acid
CID 61039961
2-methyl-5-nitro-N-[2-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide
CID 31811302
3-(but-3-enylsulfamoyl)-2-methylbenzoic acid
CID 113465362
2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid
CID 43081600

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid?
The IUPAC name of 2-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid (CID 63743835) is 2-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid.
What is the SMILES notation for 2-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid?
The canonical SMILES for 2-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid is Cc1c(C(=O)O)cccc1S(=O)(=O)NCCC1CCCO1.
What is the InChIKey of 2-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid?
The InChIKey is JZDXHHRPYXUPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-10-12(14(16)17)5-2-6-13(10)21(18,19)15-8-7-11-4-3-9-20-11/h2,5-6,11,15H,3-4,7-9H2,1H3,(H,16,17).
What are the key properties of 2-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid?
2-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid has a molecular weight of 313.38 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid is sourced from PubChem (CID 63743835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).