2-[(2,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoic acid

C14H13Cl2NO5S — CID 50894753

IUPAC2-[(2,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoic acid
SMILESCC(C(=O)O)N(Cc1ccco1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2NO5S/c1-9(14(18)19)17(8-11-3-2-6-22-11)23(20,21)13-7-10(15)4-5-12(13)16/h2-7,9H,8H2,1H3,(H,18,19)
InChIKeyDDCRJTPSBXPQFU-UHFFFAOYSA-N
MW378.23 g/mol
LogP3.25
Rot. Bonds6

About 2-[(2,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoic acid

2-[(2,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoic acid (PubChem CID 50894753) has the molecular formula C14H13Cl2NO5S and a molecular weight of 378.23 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoic acid
PubChem CID50894753
Molecular FormulaC14H13Cl2NO5S
Molecular Weight378.23 g/mol
Exact Mass376.99
IUPAC Name2-[(2,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoic acid
SMILESCC(C(=O)O)N(Cc1ccco1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2NO5S/c1-9(14(18)19)17(8-11-3-2-6-22-11)23(20,21)13-7-10(15)4-5-12(13)16/h2-7,9H,8H2,1H3,(H,18,19)
InChIKeyDDCRJTPSBXPQFU-UHFFFAOYSA-N
XLogP3.25
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 3572091
2,5-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 30668532
2-amino-5-chloro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 54888480
2-(2,3-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)propanoic acid
CID 50892237
2-(2-bromo-N-(2,5-dichlorophenyl)sulfonylanilino)propanoic acid
CID 50890896
2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]propanoyl chloride
CID 50894365
2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 1331141
2-[(4-bromophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoyl chloride
CID 50894473
2-(4-bromo-N-(2,5-dichlorophenyl)sulfonylanilino)propanoic acid
CID 50890833
2,5-dichloro-N-(2-chloroethyl)-N-propan-2-ylbenzenesulfonamide
CID 55188022
(2S)-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 10598780
2-(N-(2,5-dichlorophenyl)sulfonylanilino)propanoyl chloride
CID 50889608

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoic acid?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoic acid (CID 50894753) is 2-[(2,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoic acid?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoic acid is CC(C(=O)O)N(Cc1ccco1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoic acid?
The InChIKey is DDCRJTPSBXPQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO5S/c1-9(14(18)19)17(8-11-3-2-6-22-11)23(20,21)13-7-10(15)4-5-12(13)16/h2-7,9H,8H2,1H3,(H,18,19).
What are the key properties of 2-[(2,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoic acid?
2-[(2,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoic acid has a molecular weight of 378.23 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 50894753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).