2-methoxy-5-(4-methylpentan-2-ylsulfamoyl)benzoic acid

C14H21NO5S — CID 43372088

IUPAC2-methoxy-5-(4-methylpentan-2-ylsulfamoyl)benzoic acid
SMILESCOc1ccc(S(=O)(=O)NC(C)CC(C)C)cc1C(=O)O
InChIInChI=1S/C14H21NO5S/c1-9(2)7-10(3)15-21(18,19)11-5-6-13(20-4)12(8-11)14(16)17/h5-6,8-10,15H,7H2,1-4H3,(H,16,17)
InChIKeyKALHZSYKXNTINV-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.11
Rot. Bonds7

About 2-methoxy-5-(4-methylpentan-2-ylsulfamoyl)benzoic acid

2-methoxy-5-(4-methylpentan-2-ylsulfamoyl)benzoic acid (PubChem CID 43372088) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-methoxy-5-(4-methylpentan-2-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-methoxy-5-(4-methylpentan-2-ylsulfamoyl)benzoic acid
PubChem CID43372088
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Name2-methoxy-5-(4-methylpentan-2-ylsulfamoyl)benzoic acid
SMILESCOc1ccc(S(=O)(=O)NC(C)CC(C)C)cc1C(=O)O
InChIInChI=1S/C14H21NO5S/c1-9(2)7-10(3)15-21(18,19)11-5-6-13(20-4)12(8-11)14(16)17/h5-6,8-10,15H,7H2,1-4H3,(H,16,17)
InChIKeyKALHZSYKXNTINV-UHFFFAOYSA-N
XLogP2.11
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-(pentan-2-ylsulfamoyl)benzoic acid
CID 43141079
5-[[(1R)-1-carboxy-2-methylpropyl]sulfamoyl]-2-methoxybenzoic acid
CID 97032269
2-methoxy-5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoic acid
CID 60780474
5-(1-hydroxybutan-2-ylsulfamoyl)-2-methoxybenzoic acid
CID 43498968
5-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2-methoxybenzoic acid
CID 146133028
4-amino-3-methoxy-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 81437934
5-[(1-carboxy-3-methylsulfanylpropyl)sulfamoyl]-2-methoxybenzoic acid
CID 102552943
5-(1-hydroxypropan-2-ylsulfamoyl)-2-propoxybenzoic acid
CID 43499085
2-methoxy-5-(prop-2-ynylsulfamoyl)benzoic acid
CID 43323987
4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 40769366
3-(4-methylpentan-2-ylsulfamoyl)benzoic acid
CID 43372085
N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 8777670

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(4-methylpentan-2-ylsulfamoyl)benzoic acid?
The IUPAC name of 2-methoxy-5-(4-methylpentan-2-ylsulfamoyl)benzoic acid (CID 43372088) is 2-methoxy-5-(4-methylpentan-2-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-methoxy-5-(4-methylpentan-2-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2-methoxy-5-(4-methylpentan-2-ylsulfamoyl)benzoic acid is COc1ccc(S(=O)(=O)NC(C)CC(C)C)cc1C(=O)O.
What is the InChIKey of 2-methoxy-5-(4-methylpentan-2-ylsulfamoyl)benzoic acid?
The InChIKey is KALHZSYKXNTINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-9(2)7-10(3)15-21(18,19)11-5-6-13(20-4)12(8-11)14(16)17/h5-6,8-10,15H,7H2,1-4H3,(H,16,17).
What are the key properties of 2-methoxy-5-(4-methylpentan-2-ylsulfamoyl)benzoic acid?
2-methoxy-5-(4-methylpentan-2-ylsulfamoyl)benzoic acid has a molecular weight of 315.39 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(4-methylpentan-2-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 43372088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).