2-methoxy-5-[methyl(pentan-2-yl)sulfamoyl]benzoic acid

C14H21NO5S — CID 43572047

IUPAC2-methoxy-5-[methyl(pentan-2-yl)sulfamoyl]benzoic acid
SMILESCCCC(C)N(C)S(=O)(=O)c1ccc(OC)c(C(=O)O)c1
InChIInChI=1S/C14H21NO5S/c1-5-6-10(2)15(3)21(18,19)11-7-8-13(20-4)12(9-11)14(16)17/h7-10H,5-6H2,1-4H3,(H,16,17)
InChIKeyDFOIYCMFUOLADG-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.20
Rot. Bonds7

About 2-methoxy-5-[methyl(pentan-2-yl)sulfamoyl]benzoic acid

2-methoxy-5-[methyl(pentan-2-yl)sulfamoyl]benzoic acid (PubChem CID 43572047) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-methoxy-5-[methyl(pentan-2-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-methoxy-5-[methyl(pentan-2-yl)sulfamoyl]benzoic acid
PubChem CID43572047
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Name2-methoxy-5-[methyl(pentan-2-yl)sulfamoyl]benzoic acid
SMILESCCCC(C)N(C)S(=O)(=O)c1ccc(OC)c(C(=O)O)c1
InChIInChI=1S/C14H21NO5S/c1-5-6-10(2)15(3)21(18,19)11-7-8-13(20-4)12(9-11)14(16)17/h7-10H,5-6H2,1-4H3,(H,16,17)
InChIKeyDFOIYCMFUOLADG-UHFFFAOYSA-N
XLogP2.20
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid
CID 60951886
2-methoxy-5-pentan-2-ylsulfonylbenzoic acid
CID 107890465
2-methoxy-5-(pentan-2-ylsulfamoyl)benzoic acid
CID 43141079
3-bromo-2-methyl-5-[methyl(pentan-2-yl)sulfamoyl]benzoic acid
CID 79575925
5-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-2-methoxybenzoic acid
CID 43578680
5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-methoxybenzoic acid
CID 103101553
5-[2-cyanoethyl(methyl)sulfamoyl]-2-methoxybenzoic acid
CID 43323996
5-(2-ethylbutylsulfonyl)-2-methoxybenzoic acid
CID 82928650
2-amino-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid
CID 154206653
2,4-dimethyl-5-[methyl(pentan-2-yl)sulfamoyl]benzoic acid
CID 43572044
3-bromo-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61059985
5-[3-(dimethylamino)propylsulfonyl]-2-methoxybenzoic acid
CID 114525746

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[methyl(pentan-2-yl)sulfamoyl]benzoic acid?
The IUPAC name of 2-methoxy-5-[methyl(pentan-2-yl)sulfamoyl]benzoic acid (CID 43572047) is 2-methoxy-5-[methyl(pentan-2-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-methoxy-5-[methyl(pentan-2-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-methoxy-5-[methyl(pentan-2-yl)sulfamoyl]benzoic acid is CCCC(C)N(C)S(=O)(=O)c1ccc(OC)c(C(=O)O)c1.
What is the InChIKey of 2-methoxy-5-[methyl(pentan-2-yl)sulfamoyl]benzoic acid?
The InChIKey is DFOIYCMFUOLADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-5-6-10(2)15(3)21(18,19)11-7-8-13(20-4)12(9-11)14(16)17/h7-10H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 2-methoxy-5-[methyl(pentan-2-yl)sulfamoyl]benzoic acid?
2-methoxy-5-[methyl(pentan-2-yl)sulfamoyl]benzoic acid has a molecular weight of 315.39 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[methyl(pentan-2-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 43572047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).