4-(dipropylsulfamoyl)benzoic acid

C13H19NO4S — CID 4911

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IUPAC4-(dipropylsulfamoyl)benzoic acid
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C13H19NO4S/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)
InChIKeyDBABZHXKTCFAPX-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.20
Rot. Bonds7

About 4-(dipropylsulfamoyl)benzoic acid

4-(dipropylsulfamoyl)benzoic acid (PubChem CID 4911) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-(dipropylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-(dipropylsulfamoyl)benzoic acid
PubChem CID4911
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name4-(dipropylsulfamoyl)benzoic acid
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C13H19NO4S/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)
InChIKeyDBABZHXKTCFAPX-UHFFFAOYSA-N
XLogP2.20
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Halazone
CID 3552
Carzenide
CID 8739
4-((Diethylamino)sulfonyl)benzoic acid
CID 14604
2-Sulfamoylbenzoic acid
CID 69436
4-Sulfobenzoic acid
CID 69469
4-(Pyrrolidine-1-sulfonyl)benzoic acid
CID 763651
3-[(4-Methylpiperazin-1-yl)sulfonyl]benzoic acid
CID 1081456
4-(1,3,3-Trimethyl-6-aza-bicyclo[3.2.1]octane-6-sulfonyl)-benzoic acid
CID 3705367
4-(Dimethylsulfamoyl)benzoic acid
CID 14572
Carboxytolbutamide
CID 159651
4-Chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898
4-(Cyclopropylsulfamoyl)benzoic acid
CID 1134151

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylsulfamoyl)benzoic acid?
The IUPAC name of 4-(dipropylsulfamoyl)benzoic acid (CID 4911) is 4-(dipropylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-(dipropylsulfamoyl)benzoic acid?
The canonical SMILES for 4-(dipropylsulfamoyl)benzoic acid is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(dipropylsulfamoyl)benzoic acid?
The InChIKey is DBABZHXKTCFAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/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).
What are the key properties of 4-(dipropylsulfamoyl)benzoic acid?
4-(dipropylsulfamoyl)benzoic acid has a molecular weight of 285.37 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylsulfamoyl)benzoic acid is sourced from PubChem (CID 4911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).