3-[(3-propylphenyl)sulfonylamino]benzoic acid

C16H17NO4S — CID 171621009

IUPAC3-[(3-propylphenyl)sulfonylamino]benzoic acid
SMILESCCCc1cccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)c1
InChIInChI=1S/C16H17NO4S/c1-2-5-12-6-3-9-15(10-12)22(20,21)17-14-8-4-7-13(11-14)16(18)19/h3-4,6-11,17H,2,5H2,1H3,(H,18,19)
InChIKeyAURIOVNTQMLJID-UHFFFAOYSA-N
MW319.38 g/mol
LogP3.14
Rot. Bonds6

About 3-[(3-propylphenyl)sulfonylamino]benzoic acid

3-[(3-propylphenyl)sulfonylamino]benzoic acid (PubChem CID 171621009) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is 3-[(3-propylphenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name3-[(3-propylphenyl)sulfonylamino]benzoic acid
PubChem CID171621009
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name3-[(3-propylphenyl)sulfonylamino]benzoic acid
SMILESCCCc1cccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)c1
InChIInChI=1S/C16H17NO4S/c1-2-5-12-6-3-9-15(10-12)22(20,21)17-14-8-4-7-13(11-14)16(18)19/h3-4,6-11,17H,2,5H2,1H3,(H,18,19)
InChIKeyAURIOVNTQMLJID-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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Related Compounds

N-(3-propylphenyl)benzenesulfonamide
CID 71064838
3-[2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68688702
3-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68688780
3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756
3-[2-[3-[(2,6-difluorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68689417
3-[(3-iodophenyl)sulfamoyl]benzoic acid
CID 25335262
5-[(3-carboxyphenyl)sulfamoyl]-2-methylbenzoic acid
CID 45407611
3-[(3-carboxylatophenyl)sulfonylamino]benzoate
CID 4517286
3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid
CID 2234493
3-[(4-chlorophenyl)sulfonylamino]benzoic acid
CID 773554
3-[(3-tert-butyl-4-ethoxyphenyl)sulfonylamino]benzoic acid
CID 39845160
3-(benzenesulfonamido)-N,N-dipropylbenzamide
CID 30282516

Frequently Asked Questions

What is the IUPAC name of 3-[(3-propylphenyl)sulfonylamino]benzoic acid?
The IUPAC name of 3-[(3-propylphenyl)sulfonylamino]benzoic acid (CID 171621009) is 3-[(3-propylphenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 3-[(3-propylphenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 3-[(3-propylphenyl)sulfonylamino]benzoic acid is CCCc1cccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)c1.
What is the InChIKey of 3-[(3-propylphenyl)sulfonylamino]benzoic acid?
The InChIKey is AURIOVNTQMLJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-2-5-12-6-3-9-15(10-12)22(20,21)17-14-8-4-7-13(11-14)16(18)19/h3-4,6-11,17H,2,5H2,1H3,(H,18,19).
What are the key properties of 3-[(3-propylphenyl)sulfonylamino]benzoic acid?
3-[(3-propylphenyl)sulfonylamino]benzoic 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 3-[(3-propylphenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 171621009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).