2-(benzenesulfonamido)-5-propylbenzoic acid

C16H17NO4S — CID 10018850

IUPAC2-(benzenesulfonamido)-5-propylbenzoic acid
SMILESCCCc1ccc(NS(=O)(=O)c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C16H17NO4S/c1-2-6-12-9-10-15(14(11-12)16(18)19)17-22(20,21)13-7-4-3-5-8-13/h3-5,7-11,17H,2,6H2,1H3,(H,18,19)
InChIKeyLZDCSXYOKAIIJO-UHFFFAOYSA-N
MW319.38 g/mol
LogP3.14
Rot. Bonds6

About 2-(benzenesulfonamido)-5-propylbenzoic acid

2-(benzenesulfonamido)-5-propylbenzoic acid (PubChem CID 10018850) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-5-propylbenzoic acid.

Molecular Properties

Compound Name2-(benzenesulfonamido)-5-propylbenzoic acid
PubChem CID10018850
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name2-(benzenesulfonamido)-5-propylbenzoic acid
SMILESCCCc1ccc(NS(=O)(=O)c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C16H17NO4S/c1-2-6-12-9-10-15(14(11-12)16(18)19)17-22(20,21)13-7-4-3-5-8-13/h3-5,7-11,17H,2,6H2,1H3,(H,18,19)
InChIKeyLZDCSXYOKAIIJO-UHFFFAOYSA-N
XLogP3.14
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-5-propylbenzoic acid?
The IUPAC name of 2-(benzenesulfonamido)-5-propylbenzoic acid (CID 10018850) is 2-(benzenesulfonamido)-5-propylbenzoic acid.
What is the SMILES notation for 2-(benzenesulfonamido)-5-propylbenzoic acid?
The canonical SMILES for 2-(benzenesulfonamido)-5-propylbenzoic acid is CCCc1ccc(NS(=O)(=O)c2ccccc2)c(C(=O)O)c1.
What is the InChIKey of 2-(benzenesulfonamido)-5-propylbenzoic acid?
The InChIKey is LZDCSXYOKAIIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-2-6-12-9-10-15(14(11-12)16(18)19)17-22(20,21)13-7-4-3-5-8-13/h3-5,7-11,17H,2,6H2,1H3,(H,18,19).
What are the key properties of 2-(benzenesulfonamido)-5-propylbenzoic acid?
2-(benzenesulfonamido)-5-propylbenzoic acid has a molecular weight of 319.38 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-5-propylbenzoic acid is sourced from PubChem (CID 10018850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).