5-(3-hydroxypropylsulfamoyl)-2-(pentylamino)benzoic acid

C15H24N2O5S — CID 99983760

IUPAC5-(3-hydroxypropylsulfamoyl)-2-(pentylamino)benzoic acid
SMILESCCCCCNc1ccc(S(=O)(=O)NCCCO)cc1C(=O)O
InChIInChI=1S/C15H24N2O5S/c1-2-3-4-8-16-14-7-6-12(11-13(14)15(19)20)23(21,22)17-9-5-10-18/h6-7,11,16-18H,2-5,8-10H2,1H3,(H,19,20)
InChIKeySXDHQDHRRGSAOA-UHFFFAOYSA-N
MW344.43 g/mol
LogP1.65
Rot. Bonds11

About 5-(3-hydroxypropylsulfamoyl)-2-(pentylamino)benzoic acid

5-(3-hydroxypropylsulfamoyl)-2-(pentylamino)benzoic acid (PubChem CID 99983760) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is 5-(3-hydroxypropylsulfamoyl)-2-(pentylamino)benzoic acid.

Molecular Properties

Compound Name5-(3-hydroxypropylsulfamoyl)-2-(pentylamino)benzoic acid
PubChem CID99983760
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name5-(3-hydroxypropylsulfamoyl)-2-(pentylamino)benzoic acid
SMILESCCCCCNc1ccc(S(=O)(=O)NCCCO)cc1C(=O)O
InChIInChI=1S/C15H24N2O5S/c1-2-3-4-8-16-14-7-6-12(11-13(14)15(19)20)23(21,22)17-9-5-10-18/h6-7,11,16-18H,2-5,8-10H2,1H3,(H,19,20)
InChIKeySXDHQDHRRGSAOA-UHFFFAOYSA-N
XLogP1.65
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(butylamino)-5-(2-hydroxyethylsulfamoyl)benzoic acid
CID 99983490
2-(ethylamino)-5-(3-hydroxypropylsulfamoyl)benzoic acid
CID 99988211
2-(2-methylpropylamino)-5-(pentylsulfamoyl)benzoic acid
CID 99986187
2-(tert-butylamino)-5-(3-hydroxypropylsulfamoyl)benzoic acid
CID 99983659
5-(3-hydroxypropylsulfamoyl)-2-(2-phenylethylamino)benzoic acid
CID 99983704
2-(3-methoxypropylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid
CID 99984062
5-(decylsulfamoyl)-2-methylbenzoic acid
CID 100820311
2-(pentan-2-ylamino)-5-(pentylsulfamoyl)benzoic acid
CID 132653822
2-(butylamino)-5-(propan-2-ylsulfamoyl)benzoic acid
CID 99981727
5-(butylsulfamoyl)-2-(propan-2-ylamino)benzoic acid
CID 99981853
5-[[(2R)-butan-2-yl]sulfamoyl]-2-(butylamino)benzoic acid
CID 99982166
2-(2-methoxyethylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid
CID 99984056

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypropylsulfamoyl)-2-(pentylamino)benzoic acid?
The IUPAC name of 5-(3-hydroxypropylsulfamoyl)-2-(pentylamino)benzoic acid (CID 99983760) is 5-(3-hydroxypropylsulfamoyl)-2-(pentylamino)benzoic acid.
What is the SMILES notation for 5-(3-hydroxypropylsulfamoyl)-2-(pentylamino)benzoic acid?
The canonical SMILES for 5-(3-hydroxypropylsulfamoyl)-2-(pentylamino)benzoic acid is CCCCCNc1ccc(S(=O)(=O)NCCCO)cc1C(=O)O.
What is the InChIKey of 5-(3-hydroxypropylsulfamoyl)-2-(pentylamino)benzoic acid?
The InChIKey is SXDHQDHRRGSAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-2-3-4-8-16-14-7-6-12(11-13(14)15(19)20)23(21,22)17-9-5-10-18/h6-7,11,16-18H,2-5,8-10H2,1H3,(H,19,20).
What are the key properties of 5-(3-hydroxypropylsulfamoyl)-2-(pentylamino)benzoic acid?
5-(3-hydroxypropylsulfamoyl)-2-(pentylamino)benzoic acid has a molecular weight of 344.43 g/mol, XLogP of 1.65, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypropylsulfamoyl)-2-(pentylamino)benzoic acid is sourced from PubChem (CID 99983760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).