5-[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonylamino]-3-cyclopropyl-2-fluoro-6-hydroxy-N-methylbenzamide

C17H15BrClFN2O5S — CID 155569544

IUPAC5-[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonylamino]-3-cyclopropyl-2-fluoro-6-hydroxy-N-methylbenzamide
SMILESCNC(=O)c1c(O)c(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)cc(C2CC2)c1F
InChIInChI=1S/C17H15BrClFN2O5S/c1-21-17(25)13-14(20)9(7-2-3-7)6-11(16(13)24)22-28(26,27)12-5-8(18)4-10(19)15(12)23/h4-7,22-24H,2-3H2,1H3,(H,21,25)
InChIKeyYVPZGFQMOJVHEN-UHFFFAOYSA-N
MW493.74 g/mol
LogP3.69
Rot. Bonds5

About 5-[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonylamino]-3-cyclopropyl-2-fluoro-6-hydroxy-N-methylbenzamide

5-[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonylamino]-3-cyclopropyl-2-fluoro-6-hydroxy-N-methylbenzamide (PubChem CID 155569544) has the molecular formula C17H15BrClFN2O5S and a molecular weight of 493.74 g/mol. Its IUPAC name is 5-[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonylamino]-3-cyclopropyl-2-fluoro-6-hydroxy-N-methylbenzamide.

Molecular Properties

Compound Name5-[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonylamino]-3-cyclopropyl-2-fluoro-6-hydroxy-N-methylbenzamide
PubChem CID155569544
Molecular FormulaC17H15BrClFN2O5S
Molecular Weight493.74 g/mol
Exact Mass491.96
IUPAC Name5-[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonylamino]-3-cyclopropyl-2-fluoro-6-hydroxy-N-methylbenzamide
SMILESCNC(=O)c1c(O)c(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)cc(C2CC2)c1F
InChIInChI=1S/C17H15BrClFN2O5S/c1-21-17(25)13-14(20)9(7-2-3-7)6-11(16(13)24)22-28(26,27)12-5-8(18)4-10(19)15(12)23/h4-7,22-24H,2-3H2,1H3,(H,21,25)
InChIKeyYVPZGFQMOJVHEN-UHFFFAOYSA-N
XLogP3.69
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.74
LogP ≤ 53.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonylamino]-3-cyclopropyl-2-fluoro-6-hydroxy-N-methylbenzamide?
The IUPAC name of 5-[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonylamino]-3-cyclopropyl-2-fluoro-6-hydroxy-N-methylbenzamide (CID 155569544) is 5-[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonylamino]-3-cyclopropyl-2-fluoro-6-hydroxy-N-methylbenzamide.
What is the SMILES notation for 5-[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonylamino]-3-cyclopropyl-2-fluoro-6-hydroxy-N-methylbenzamide?
The canonical SMILES for 5-[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonylamino]-3-cyclopropyl-2-fluoro-6-hydroxy-N-methylbenzamide is CNC(=O)c1c(O)c(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)cc(C2CC2)c1F.
What is the InChIKey of 5-[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonylamino]-3-cyclopropyl-2-fluoro-6-hydroxy-N-methylbenzamide?
The InChIKey is YVPZGFQMOJVHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClFN2O5S/c1-21-17(25)13-14(20)9(7-2-3-7)6-11(16(13)24)22-28(26,27)12-5-8(18)4-10(19)15(12)23/h4-7,22-24H,2-3H2,1H3,(H,21,25).
What are the key properties of 5-[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonylamino]-3-cyclopropyl-2-fluoro-6-hydroxy-N-methylbenzamide?
5-[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonylamino]-3-cyclopropyl-2-fluoro-6-hydroxy-N-methylbenzamide has a molecular weight of 493.74 g/mol, XLogP of 3.69, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonylamino]-3-cyclopropyl-2-fluoro-6-hydroxy-N-methylbenzamide is sourced from PubChem (CID 155569544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).