2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-3-methoxypropanoic acid

C10H12Cl2N2O5S — CID 166224314

IUPAC2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-3-methoxypropanoic acid
SMILESCOCC(NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1)C(=O)O
InChIInChI=1S/C10H12Cl2N2O5S/c1-19-4-8(10(15)16)14-20(17,18)5-2-6(11)9(13)7(12)3-5/h2-3,8,14H,4,13H2,1H3,(H,15,16)
InChIKeySDONEZFWHCVNPW-UHFFFAOYSA-N
MW343.19 g/mol
LogP0.95
Rot. Bonds6

About 2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-3-methoxypropanoic acid

2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-3-methoxypropanoic acid (PubChem CID 166224314) has the molecular formula C10H12Cl2N2O5S and a molecular weight of 343.19 g/mol. Its IUPAC name is 2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-3-methoxypropanoic acid
PubChem CID166224314
Molecular FormulaC10H12Cl2N2O5S
Molecular Weight343.19 g/mol
Exact Mass341.98
IUPAC Name2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-3-methoxypropanoic acid
SMILESCOCC(NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1)C(=O)O
InChIInChI=1S/C10H12Cl2N2O5S/c1-19-4-8(10(15)16)14-20(17,18)5-2-6(11)9(13)7(12)3-5/h2-3,8,14H,4,13H2,1H3,(H,15,16)
InChIKeySDONEZFWHCVNPW-UHFFFAOYSA-N
XLogP0.95
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.19
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chlorophenyl)sulfonylamino]-3-methoxypropanoic acid
CID 81076518
3-methoxy-2-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 81078841
2-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-3-methoxypropanoic acid
CID 81078661
2-[(4-bromo-3-methylphenyl)sulfonylamino]-3-methoxypropanoic acid
CID 81078037
3-methoxy-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 81086028
(2R)-2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-N-benzyl-N-methyl-4-phenylbutanamide
CID 58504877
methyl 2-[(4-amino-3,5-dichlorobenzoyl)amino]-3-methoxypropanoate
CID 122135859
2-[(3,5-dimethylphenyl)sulfonylamino]-5-methoxypentanoic acid
CID 81086194
3-methoxy-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid
CID 81086190
(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 28828970
(2R)-2-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid
CID 93252465
3-methoxy-2-[(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonylamino]propanoic acid
CID 126803471

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-3-methoxypropanoic acid (CID 166224314) is 2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-3-methoxypropanoic acid is COCC(NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1)C(=O)O.
What is the InChIKey of 2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-3-methoxypropanoic acid?
The InChIKey is SDONEZFWHCVNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O5S/c1-19-4-8(10(15)16)14-20(17,18)5-2-6(11)9(13)7(12)3-5/h2-3,8,14H,4,13H2,1H3,(H,15,16).
What are the key properties of 2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-3-methoxypropanoic acid?
2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-3-methoxypropanoic acid has a molecular weight of 343.19 g/mol, XLogP of 0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-3-methoxypropanoic acid is sourced from PubChem (CID 166224314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).