2-(benzenesulfonamido)-5-butylbenzoic acid

C17H19NO4S — CID 10246233

IUPAC2-(benzenesulfonamido)-5-butylbenzoic acid
SMILESCCCCc1ccc(NS(=O)(=O)c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C17H19NO4S/c1-2-3-7-13-10-11-16(15(12-13)17(19)20)18-23(21,22)14-8-5-4-6-9-14/h4-6,8-12,18H,2-3,7H2,1H3,(H,19,20)
InChIKeyGUFYXBDBRAROGG-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.53
Rot. Bonds7

About 2-(benzenesulfonamido)-5-butylbenzoic acid

2-(benzenesulfonamido)-5-butylbenzoic acid (PubChem CID 10246233) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-5-butylbenzoic acid.

Molecular Properties

Compound Name2-(benzenesulfonamido)-5-butylbenzoic acid
PubChem CID10246233
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name2-(benzenesulfonamido)-5-butylbenzoic acid
SMILESCCCCc1ccc(NS(=O)(=O)c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C17H19NO4S/c1-2-3-7-13-10-11-16(15(12-13)17(19)20)18-23(21,22)14-8-5-4-6-9-14/h4-6,8-12,18H,2-3,7H2,1H3,(H,19,20)
InChIKeyGUFYXBDBRAROGG-UHFFFAOYSA-N
XLogP3.53
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-5-butylbenzoic acid?
The IUPAC name of 2-(benzenesulfonamido)-5-butylbenzoic acid (CID 10246233) is 2-(benzenesulfonamido)-5-butylbenzoic acid.
What is the SMILES notation for 2-(benzenesulfonamido)-5-butylbenzoic acid?
The canonical SMILES for 2-(benzenesulfonamido)-5-butylbenzoic acid is CCCCc1ccc(NS(=O)(=O)c2ccccc2)c(C(=O)O)c1.
What is the InChIKey of 2-(benzenesulfonamido)-5-butylbenzoic acid?
The InChIKey is GUFYXBDBRAROGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-2-3-7-13-10-11-16(15(12-13)17(19)20)18-23(21,22)14-8-5-4-6-9-14/h4-6,8-12,18H,2-3,7H2,1H3,(H,19,20).
What are the key properties of 2-(benzenesulfonamido)-5-butylbenzoic acid?
2-(benzenesulfonamido)-5-butylbenzoic acid has a molecular weight of 333.41 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-5-butylbenzoic acid is sourced from PubChem (CID 10246233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).