4-bromo-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide

C18H19BrN2O4S — CID 46674523

IUPAC4-bromo-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide
SMILESCC1CN(C(=O)c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)CCO1
InChIInChI=1S/C18H19BrN2O4S/c1-13-12-21(9-10-25-13)18(22)14-3-2-4-16(11-14)20-26(23,24)17-7-5-15(19)6-8-17/h2-8,11,13,20H,9-10,12H2,1H3
InChIKeyULTTZTHIIQFKFY-UHFFFAOYSA-N
MW439.33 g/mol
LogP3.11
Rot. Bonds4

About 4-bromo-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide

4-bromo-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide (PubChem CID 46674523) has the molecular formula C18H19BrN2O4S and a molecular weight of 439.33 g/mol. Its IUPAC name is 4-bromo-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide
PubChem CID46674523
Molecular FormulaC18H19BrN2O4S
Molecular Weight439.33 g/mol
Exact Mass438.02
IUPAC Name4-bromo-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide
SMILESCC1CN(C(=O)c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)CCO1
InChIInChI=1S/C18H19BrN2O4S/c1-13-12-21(9-10-25-13)18(22)14-3-2-4-16(11-14)20-26(23,24)17-7-5-15(19)6-8-17/h2-8,11,13,20H,9-10,12H2,1H3
InChIKeyULTTZTHIIQFKFY-UHFFFAOYSA-N
XLogP3.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[3-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 18160418
4-[(2R)-2-methylmorpholine-4-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 41247466
N-(3,4-dimethylphenyl)-4-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 46674476
4-bromo-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 112771542
2-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]propanamide
CID 110352926
2,2-dimethyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]propanamide
CID 110352930
(6-bromonaphthalen-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 115283093
N,N-dimethyl-3-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 51293136
4-fluoro-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]benzamide
CID 46430432
N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-2-(2-methylphenyl)acetamide
CID 110671876
N-(2-methoxyphenyl)-4-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 46687768
3-(3-methylpiperidine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 109065600

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide (CID 46674523) is 4-bromo-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide is CC1CN(C(=O)c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)CCO1.
What is the InChIKey of 4-bromo-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is ULTTZTHIIQFKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4S/c1-13-12-21(9-10-25-13)18(22)14-3-2-4-16(11-14)20-26(23,24)17-7-5-15(19)6-8-17/h2-8,11,13,20H,9-10,12H2,1H3.
What are the key properties of 4-bromo-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide?
4-bromo-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 439.33 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 46674523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).