4-bromo-2-chloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide

C17H20BrClN2O4S — CID 46657947

IUPAC4-bromo-2-chloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESCc1ccc(C(CNS(=O)(=O)c2ccc(Br)cc2Cl)N2CCOCC2)o1
InChIInChI=1S/C17H20BrClN2O4S/c1-12-2-4-16(25-12)15(21-6-8-24-9-7-21)11-20-26(22,23)17-5-3-13(18)10-14(17)19/h2-5,10,15,20H,6-9,11H2,1H3
InChIKeyQHFBOCIMUWFSOE-UHFFFAOYSA-N
MW463.78 g/mol
LogP3.36
Rot. Bonds6

About 4-bromo-2-chloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide

4-bromo-2-chloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide (PubChem CID 46657947) has the molecular formula C17H20BrClN2O4S and a molecular weight of 463.78 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
PubChem CID46657947
Molecular FormulaC17H20BrClN2O4S
Molecular Weight463.78 g/mol
Exact Mass462.00
IUPAC Name4-bromo-2-chloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESCc1ccc(C(CNS(=O)(=O)c2ccc(Br)cc2Cl)N2CCOCC2)o1
InChIInChI=1S/C17H20BrClN2O4S/c1-12-2-4-16(25-12)15(21-6-8-24-9-7-21)11-20-26(22,23)17-5-3-13(18)10-14(17)19/h2-5,10,15,20H,6-9,11H2,1H3
InChIKeyQHFBOCIMUWFSOE-UHFFFAOYSA-N
XLogP3.36
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.78
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide (CID 46657947) is 4-bromo-2-chloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide is Cc1ccc(C(CNS(=O)(=O)c2ccc(Br)cc2Cl)N2CCOCC2)o1.
What is the InChIKey of 4-bromo-2-chloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The InChIKey is QHFBOCIMUWFSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrClN2O4S/c1-12-2-4-16(25-12)15(21-6-8-24-9-7-21)11-20-26(22,23)17-5-3-13(18)10-14(17)19/h2-5,10,15,20H,6-9,11H2,1H3.
What are the key properties of 4-bromo-2-chloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide?
4-bromo-2-chloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide has a molecular weight of 463.78 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide is sourced from PubChem (CID 46657947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).