3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-fluoro-N-phenylbenzamide

C19H13Cl2FN2O4S — CID 146545882

IUPAC3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-fluoro-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(F)c(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)c1
InChIInChI=1S/C19H13Cl2FN2O4S/c20-12-9-14(21)18(25)17(10-12)29(27,28)24-16-8-11(6-7-15(16)22)19(26)23-13-4-2-1-3-5-13/h1-10,24-25H,(H,23,26)
InChIKeyIYYSHFRUVPEONL-UHFFFAOYSA-N
MW455.29 g/mol
LogP4.89
Rot. Bonds5

About 3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-fluoro-N-phenylbenzamide

3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-fluoro-N-phenylbenzamide (PubChem CID 146545882) has the molecular formula C19H13Cl2FN2O4S and a molecular weight of 455.29 g/mol. Its IUPAC name is 3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-fluoro-N-phenylbenzamide.

Molecular Properties

Compound Name3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-fluoro-N-phenylbenzamide
PubChem CID146545882
Molecular FormulaC19H13Cl2FN2O4S
Molecular Weight455.29 g/mol
Exact Mass454.00
IUPAC Name3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-fluoro-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(F)c(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)c1
InChIInChI=1S/C19H13Cl2FN2O4S/c20-12-9-14(21)18(25)17(10-12)29(27,28)24-16-8-11(6-7-15(16)22)19(26)23-13-4-2-1-3-5-13/h1-10,24-25H,(H,23,26)
InChIKeyIYYSHFRUVPEONL-UHFFFAOYSA-N
XLogP4.89
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.29
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-fluoro-N-phenylbenzamide?
The IUPAC name of 3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-fluoro-N-phenylbenzamide (CID 146545882) is 3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-fluoro-N-phenylbenzamide.
What is the SMILES notation for 3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-fluoro-N-phenylbenzamide?
The canonical SMILES for 3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-fluoro-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccc(F)c(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)c1.
What is the InChIKey of 3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-fluoro-N-phenylbenzamide?
The InChIKey is IYYSHFRUVPEONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2FN2O4S/c20-12-9-14(21)18(25)17(10-12)29(27,28)24-16-8-11(6-7-15(16)22)19(26)23-13-4-2-1-3-5-13/h1-10,24-25H,(H,23,26).
What are the key properties of 3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-fluoro-N-phenylbenzamide?
3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-fluoro-N-phenylbenzamide has a molecular weight of 455.29 g/mol, XLogP of 4.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-fluoro-N-phenylbenzamide is sourced from PubChem (CID 146545882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).