sodium 4-(dipropylsulfamoyl)benzoate

C13H18NNaO4S — CID 23662399

IUPACsodium 4-(dipropylsulfamoyl)benzoate
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)[O-])cc1.[Na+]
InChIInChI=1S/C13H19NO4S.Na/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16;/h5-8H,3-4,9-10H2,1-2H3,(H,15,16);/q;+1/p-1
InChIKeyQCCCFHDTBTUDEA-UHFFFAOYSA-M
MW307.35 g/mol
LogP-2.14
Rot. Bonds7

About sodium 4-(dipropylsulfamoyl)benzoate

sodium 4-(dipropylsulfamoyl)benzoate (PubChem CID 23662399) has the molecular formula C13H18NNaO4S and a molecular weight of 307.35 g/mol. Its IUPAC name is sodium 4-(dipropylsulfamoyl)benzoate.

Molecular Properties

Compound Namesodium 4-(dipropylsulfamoyl)benzoate
PubChem CID23662399
Molecular FormulaC13H18NNaO4S
Molecular Weight307.35 g/mol
Exact Mass307.09
IUPAC Namesodium 4-(dipropylsulfamoyl)benzoate
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)[O-])cc1.[Na+]
InChIInChI=1S/C13H19NO4S.Na/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16;/h5-8H,3-4,9-10H2,1-2H3,(H,15,16);/q;+1/p-1
InChIKeyQCCCFHDTBTUDEA-UHFFFAOYSA-M
XLogP-2.14
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-2.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Probenecid
CID 4911
4-((Diethylamino)sulfonyl)benzoic acid
CID 14604
Methyl 4-sulphamoylbenzoate
CID 89847
4-(Pyrrolidine-1-sulfonyl)benzoic acid
CID 763651
3-[(4-Methylpiperazin-1-yl)sulfonyl]benzoic acid
CID 1081456
4-(Dimethylsulfamoyl)benzoic acid
CID 14572
Carboxytolbutamide
CID 159651
4-[(2,6-Dimethylmorpholin-4-yl)sulfonyl]benzoic acid
CID 2770973
3-[Bis(2-hydroxyethyl)sulfamoyl]benzoic acid
CID 4280
Monalazone Disodium
CID 68808
4-((Dibutylamino)sulfonyl)benzoic acid
CID 11032
3-(Pyrrolidine-1-sulfonyl)benzoic acid
CID 767690

Frequently Asked Questions

What is the IUPAC name of sodium 4-(dipropylsulfamoyl)benzoate?
The IUPAC name of sodium 4-(dipropylsulfamoyl)benzoate (CID 23662399) is sodium 4-(dipropylsulfamoyl)benzoate.
What is the SMILES notation for sodium 4-(dipropylsulfamoyl)benzoate?
The canonical SMILES for sodium 4-(dipropylsulfamoyl)benzoate is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)[O-])cc1.[Na+].
What is the InChIKey of sodium 4-(dipropylsulfamoyl)benzoate?
The InChIKey is QCCCFHDTBTUDEA-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H19NO4S.Na/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16;/h5-8H,3-4,9-10H2,1-2H3,(H,15,16);/q;+1/p-1.
What are the key properties of sodium 4-(dipropylsulfamoyl)benzoate?
sodium 4-(dipropylsulfamoyl)benzoate has a molecular weight of 307.35 g/mol, XLogP of -2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-(dipropylsulfamoyl)benzoate is sourced from PubChem (CID 23662399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).