3-[(4-pyridin-4-ylphenyl)sulfonylamino]propanoic acid

C14H14N2O4S — CID 110454171

IUPAC3-[(4-pyridin-4-ylphenyl)sulfonylamino]propanoic acid
SMILESO=C(O)CCNS(=O)(=O)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C14H14N2O4S/c17-14(18)7-10-16-21(19,20)13-3-1-11(2-4-13)12-5-8-15-9-6-12/h1-6,8-9,16H,7,10H2,(H,17,18)
InChIKeyDRMNUMVUOKEGJI-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.50
Rot. Bonds6

About 3-[(4-pyridin-4-ylphenyl)sulfonylamino]propanoic acid

3-[(4-pyridin-4-ylphenyl)sulfonylamino]propanoic acid (PubChem CID 110454171) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 3-[(4-pyridin-4-ylphenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-[(4-pyridin-4-ylphenyl)sulfonylamino]propanoic acid
PubChem CID110454171
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name3-[(4-pyridin-4-ylphenyl)sulfonylamino]propanoic acid
SMILESO=C(O)CCNS(=O)(=O)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C14H14N2O4S/c17-14(18)7-10-16-21(19,20)13-3-1-11(2-4-13)12-5-8-15-9-6-12/h1-6,8-9,16H,7,10H2,(H,17,18)
InChIKeyDRMNUMVUOKEGJI-UHFFFAOYSA-N
XLogP1.50
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-pyridin-4-ylphenyl)sulfonylamino]acetic acid
CID 110454054
N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzenesulfonamide
CID 110454140
3-[[4-(cyanomethyl)phenyl]sulfonylamino]propanoic acid
CID 79185253
3-[[7-(2-carboxyethylsulfamoyl)-9-oxofluoren-2-yl]sulfonylamino]propanoic acid
CID 2146033
3-[(2-chloro-4-pyridinyl)sulfonylamino]propanoic acid
CID 61249244
4-(2-pyridin-4-ylethylsulfamoyl)benzoic acid
CID 60915127
3-[(4-bromophenyl)sulfonylamino]-N-pyridin-4-ylpropanamide
CID 17192375
3-[1-(4-pyridin-4-ylphenyl)ethylamino]propanoic acid
CID 139017053
3-[(4-chlorophenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide
CID 24639242
3-[3-[(4-methylphenyl)sulfonylamino]propylcarbamoylamino]propanoic acid
CID 131908004
3-[(3-bromo-4-chlorophenyl)sulfonylamino]propanoic acid
CID 106605107
3-[(4-methoxyphenyl)sulfonylamino]-N-pyridin-4-ylpropanamide
CID 17192611

Frequently Asked Questions

What is the IUPAC name of 3-[(4-pyridin-4-ylphenyl)sulfonylamino]propanoic acid?
The IUPAC name of 3-[(4-pyridin-4-ylphenyl)sulfonylamino]propanoic acid (CID 110454171) is 3-[(4-pyridin-4-ylphenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-[(4-pyridin-4-ylphenyl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-[(4-pyridin-4-ylphenyl)sulfonylamino]propanoic acid is O=C(O)CCNS(=O)(=O)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of 3-[(4-pyridin-4-ylphenyl)sulfonylamino]propanoic acid?
The InChIKey is DRMNUMVUOKEGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c17-14(18)7-10-16-21(19,20)13-3-1-11(2-4-13)12-5-8-15-9-6-12/h1-6,8-9,16H,7,10H2,(H,17,18).
What are the key properties of 3-[(4-pyridin-4-ylphenyl)sulfonylamino]propanoic acid?
3-[(4-pyridin-4-ylphenyl)sulfonylamino]propanoic acid has a molecular weight of 306.34 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-pyridin-4-ylphenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 110454171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).