2-bromo-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide

C18H21BrN2O3S — CID 24816169

IUPAC2-bromo-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide
SMILESCCN1CCOC(c2ccc(NS(=O)(=O)c3ccccc3Br)cc2)C1
InChIInChI=1S/C18H21BrN2O3S/c1-2-21-11-12-24-17(13-21)14-7-9-15(10-8-14)20-25(22,23)18-6-4-3-5-16(18)19/h3-10,17,20H,2,11-13H2,1H3
InChIKeyCWIMZFDDZPWZLD-UHFFFAOYSA-N
MW425.35 g/mol
LogP3.64
Rot. Bonds5

About 2-bromo-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide

2-bromo-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide (PubChem CID 24816169) has the molecular formula C18H21BrN2O3S and a molecular weight of 425.35 g/mol. Its IUPAC name is 2-bromo-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide
PubChem CID24816169
Molecular FormulaC18H21BrN2O3S
Molecular Weight425.35 g/mol
Exact Mass424.05
IUPAC Name2-bromo-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide
SMILESCCN1CCOC(c2ccc(NS(=O)(=O)c3ccccc3Br)cc2)C1
InChIInChI=1S/C18H21BrN2O3S/c1-2-21-11-12-24-17(13-21)14-7-9-15(10-8-14)20-25(22,23)18-6-4-3-5-16(18)19/h3-10,17,20H,2,11-13H2,1H3
InChIKeyCWIMZFDDZPWZLD-UHFFFAOYSA-N
XLogP3.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide (CID 24816169) is 2-bromo-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide is CCN1CCOC(c2ccc(NS(=O)(=O)c3ccccc3Br)cc2)C1.
What is the InChIKey of 2-bromo-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is CWIMZFDDZPWZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3S/c1-2-21-11-12-24-17(13-21)14-7-9-15(10-8-14)20-25(22,23)18-6-4-3-5-16(18)19/h3-10,17,20H,2,11-13H2,1H3.
What are the key properties of 2-bromo-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide?
2-bromo-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 425.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 24816169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).