(4-sulfamoylphenyl)methyl 2-propylpentanoate

C15H23NO4S — CID 10881548

IUPAC(4-sulfamoylphenyl)methyl 2-propylpentanoate
SMILESCCCC(CCC)C(=O)OCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H23NO4S/c1-3-5-13(6-4-2)15(17)20-11-12-7-9-14(10-8-12)21(16,18)19/h7-10,13H,3-6,11H2,1-2H3,(H2,16,18,19)
InChIKeyMSITXBOMUACCFV-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.59
Rot. Bonds8

About (4-sulfamoylphenyl)methyl 2-propylpentanoate

(4-sulfamoylphenyl)methyl 2-propylpentanoate (PubChem CID 10881548) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is (4-sulfamoylphenyl)methyl 2-propylpentanoate.

Molecular Properties

Compound Name(4-sulfamoylphenyl)methyl 2-propylpentanoate
PubChem CID10881548
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name(4-sulfamoylphenyl)methyl 2-propylpentanoate
SMILESCCCC(CCC)C(=O)OCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H23NO4S/c1-3-5-13(6-4-2)15(17)20-11-12-7-9-14(10-8-12)21(16,18)19/h7-10,13H,3-6,11H2,1-2H3,(H2,16,18,19)
InChIKeyMSITXBOMUACCFV-UHFFFAOYSA-N
XLogP2.59
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-sulfamoylphenyl)methyl 2-propylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzoic acid, 2-(aminosulfonyl)-, methyl ester
CID 42546
N-P-Tosylglycine benzyl ester
CID 273360
Methyl 4-sulphamoylbenzoate
CID 89847
Benzoic acid, 3-(aminosulfonyl)-, methyl ester
CID 108836
Ethyl 2-(Aminosulfonyl)benzoate
CID 4652880
Ethyl 3-[4-(aminosulfonyl)phenyl]propanoate
CID 16122582
Skf 7711
CID 26441
Allyl 4-(aminosulfonyl)benzoate
CID 11536043
Ethyl 3-sulfamoylbenzoate
CID 108837
1-Pentenyl-4-(aminosulfonyl)benzoate
CID 11630396
Prop-2-ynyl 4-sulfamoylbenzoate
CID 11974340
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluoro-nonanoic acid 4-sulfamoyl-benzyl ester
CID 10817828

Frequently Asked Questions

What is the IUPAC name of (4-sulfamoylphenyl)methyl 2-propylpentanoate?
The IUPAC name of (4-sulfamoylphenyl)methyl 2-propylpentanoate (CID 10881548) is (4-sulfamoylphenyl)methyl 2-propylpentanoate.
What is the SMILES notation for (4-sulfamoylphenyl)methyl 2-propylpentanoate?
The canonical SMILES for (4-sulfamoylphenyl)methyl 2-propylpentanoate is CCCC(CCC)C(=O)OCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of (4-sulfamoylphenyl)methyl 2-propylpentanoate?
The InChIKey is MSITXBOMUACCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-3-5-13(6-4-2)15(17)20-11-12-7-9-14(10-8-12)21(16,18)19/h7-10,13H,3-6,11H2,1-2H3,(H2,16,18,19).
What are the key properties of (4-sulfamoylphenyl)methyl 2-propylpentanoate?
(4-sulfamoylphenyl)methyl 2-propylpentanoate has a molecular weight of 313.42 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-sulfamoylphenyl)methyl 2-propylpentanoate is sourced from PubChem (CID 10881548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).