5-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-3-cyclopropyl-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide

C22H25BrFN3O5S — CID 155597994

IUPAC5-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-3-cyclopropyl-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1cc(NS(=O)(=O)c2cc(Br)ccc2O)cc(C2CC2)c1F
InChIInChI=1S/C22H25BrFN3O5S/c23-15-3-4-19(28)20(11-15)33(30,31)26-16-12-17(14-1-2-14)21(24)18(13-16)22(29)25-5-6-27-7-9-32-10-8-27/h3-4,11-14,26,28H,1-2,5-10H2,(H,25,29)
InChIKeySMNZJTRDJDWDSA-UHFFFAOYSA-N
MW542.43 g/mol
LogP3.03
Rot. Bonds8

About 5-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-3-cyclopropyl-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide

5-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-3-cyclopropyl-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 155597994) has the molecular formula C22H25BrFN3O5S and a molecular weight of 542.43 g/mol. Its IUPAC name is 5-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-3-cyclopropyl-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name5-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-3-cyclopropyl-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID155597994
Molecular FormulaC22H25BrFN3O5S
Molecular Weight542.43 g/mol
Exact Mass541.07
IUPAC Name5-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-3-cyclopropyl-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1cc(NS(=O)(=O)c2cc(Br)ccc2O)cc(C2CC2)c1F
InChIInChI=1S/C22H25BrFN3O5S/c23-15-3-4-19(28)20(11-15)33(30,31)26-16-12-17(14-1-2-14)21(24)18(13-16)22(29)25-5-6-27-7-9-32-10-8-27/h3-4,11-14,26,28H,1-2,5-10H2,(H,25,29)
InChIKeySMNZJTRDJDWDSA-UHFFFAOYSA-N
XLogP3.03
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.43
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-3-cyclopropyl-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 5-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-3-cyclopropyl-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide (CID 155597994) is 5-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-3-cyclopropyl-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 5-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-3-cyclopropyl-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 5-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-3-cyclopropyl-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide is O=C(NCCN1CCOCC1)c1cc(NS(=O)(=O)c2cc(Br)ccc2O)cc(C2CC2)c1F.
What is the InChIKey of 5-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-3-cyclopropyl-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is SMNZJTRDJDWDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrFN3O5S/c23-15-3-4-19(28)20(11-15)33(30,31)26-16-12-17(14-1-2-14)21(24)18(13-16)22(29)25-5-6-27-7-9-32-10-8-27/h3-4,11-14,26,28H,1-2,5-10H2,(H,25,29).
What are the key properties of 5-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-3-cyclopropyl-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
5-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-3-cyclopropyl-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 542.43 g/mol, XLogP of 3.03, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-3-cyclopropyl-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 155597994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).