4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)benzamide

C18H14BrFN2O3S2 — CID 2440834

IUPAC4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)benzamide
SMILESCc1ccc(F)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C18H14BrFN2O3S2/c1-11-2-5-13(20)10-15(11)21-18(23)12-3-6-14(7-4-12)22-27(24,25)17-9-8-16(19)26-17/h2-10,22H,1H3,(H,21,23)
InChIKeyRMAFLEQNHOIJDH-UHFFFAOYSA-N
MW469.36 g/mol
LogP5.01
Rot. Bonds5

About 4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)benzamide

4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)benzamide (PubChem CID 2440834) has the molecular formula C18H14BrFN2O3S2 and a molecular weight of 469.36 g/mol. Its IUPAC name is 4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)benzamide
PubChem CID2440834
Molecular FormulaC18H14BrFN2O3S2
Molecular Weight469.36 g/mol
Exact Mass467.96
IUPAC Name4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)benzamide
SMILESCc1ccc(F)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C18H14BrFN2O3S2/c1-11-2-5-13(20)10-15(11)21-18(23)12-3-6-14(7-4-12)22-27(24,25)17-9-8-16(19)26-17/h2-10,22H,1H3,(H,21,23)
InChIKeyRMAFLEQNHOIJDH-UHFFFAOYSA-N
XLogP5.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.36
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)benzamide?
The IUPAC name of 4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)benzamide (CID 2440834) is 4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)benzamide.
What is the SMILES notation for 4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)benzamide?
The canonical SMILES for 4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)benzamide is Cc1ccc(F)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)benzamide?
The InChIKey is RMAFLEQNHOIJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrFN2O3S2/c1-11-2-5-13(20)10-15(11)21-18(23)12-3-6-14(7-4-12)22-27(24,25)17-9-8-16(19)26-17/h2-10,22H,1H3,(H,21,23).
What are the key properties of 4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)benzamide?
4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)benzamide has a molecular weight of 469.36 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)benzamide is sourced from PubChem (CID 2440834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).