3-[ethyl-(4-propylphenyl)sulfonylamino]butanoic acid

C15H23NO4S — CID 62827439

IUPAC3-[ethyl-(4-propylphenyl)sulfonylamino]butanoic acid
SMILESCCCc1ccc(S(=O)(=O)N(CC)C(C)CC(=O)O)cc1
InChIInChI=1S/C15H23NO4S/c1-4-6-13-7-9-14(10-8-13)21(19,20)16(5-2)12(3)11-15(17)18/h7-10,12H,4-6,11H2,1-3H3,(H,17,18)
InChIKeyJZHSUZGXTQNLAF-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.51
Rot. Bonds8

About 3-[ethyl-(4-propylphenyl)sulfonylamino]butanoic acid

3-[ethyl-(4-propylphenyl)sulfonylamino]butanoic acid (PubChem CID 62827439) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-[ethyl-(4-propylphenyl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-(4-propylphenyl)sulfonylamino]butanoic acid
PubChem CID62827439
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name3-[ethyl-(4-propylphenyl)sulfonylamino]butanoic acid
SMILESCCCc1ccc(S(=O)(=O)N(CC)C(C)CC(=O)O)cc1
InChIInChI=1S/C15H23NO4S/c1-4-6-13-7-9-14(10-8-13)21(19,20)16(5-2)12(3)11-15(17)18/h7-10,12H,4-6,11H2,1-3H3,(H,17,18)
InChIKeyJZHSUZGXTQNLAF-UHFFFAOYSA-N
XLogP2.51
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-carbamoylphenyl)sulfonyl-ethylamino]butanoic acid
CID 62826009
3-[(2,6-difluorophenyl)sulfonyl-ethylamino]butanoic acid
CID 62827786
3-(diethylamino)-4-(4-propylphenyl)butanoic acid
CID 82352486
3-[(2,3-dichlorophenyl)sulfonyl-ethylamino]butanoic acid
CID 62827080
3-[(2,4-dimethylphenyl)sulfonyl-ethylamino]butanoic acid
CID 62827784
4-acetyl-N-butan-2-yl-N-ethylbenzenesulfonamide
CID 43274837
(2S)-2-[ethyl-(4-methylphenyl)sulfonylamino]propanoic acid
CID 67639025
4-(3-chloropropyl)-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 62924340
2-[cyclopropylmethyl-(4-propylphenyl)sulfonylamino]acetic acid
CID 43656275
3-[ethyl-(2-fluoro-5-methylphenyl)sulfonylamino]butanoic acid
CID 62826714
(2R)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]propanoic acid
CID 119243803
N-(3-aminopropyl)-N-ethyl-4-propylbenzenesulfonamide
CID 61071536

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(4-propylphenyl)sulfonylamino]butanoic acid?
The IUPAC name of 3-[ethyl-(4-propylphenyl)sulfonylamino]butanoic acid (CID 62827439) is 3-[ethyl-(4-propylphenyl)sulfonylamino]butanoic acid.
What is the SMILES notation for 3-[ethyl-(4-propylphenyl)sulfonylamino]butanoic acid?
The canonical SMILES for 3-[ethyl-(4-propylphenyl)sulfonylamino]butanoic acid is CCCc1ccc(S(=O)(=O)N(CC)C(C)CC(=O)O)cc1.
What is the InChIKey of 3-[ethyl-(4-propylphenyl)sulfonylamino]butanoic acid?
The InChIKey is JZHSUZGXTQNLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-4-6-13-7-9-14(10-8-13)21(19,20)16(5-2)12(3)11-15(17)18/h7-10,12H,4-6,11H2,1-3H3,(H,17,18).
What are the key properties of 3-[ethyl-(4-propylphenyl)sulfonylamino]butanoic acid?
3-[ethyl-(4-propylphenyl)sulfonylamino]butanoic acid has a molecular weight of 313.42 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(4-propylphenyl)sulfonylamino]butanoic acid is sourced from PubChem (CID 62827439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).