4-(4-bromo-3-methylphenyl)sulfonylmorpholine-3-carboxamide

C12H15BrN2O4S — CID 83092323

IUPAC4-(4-bromo-3-methylphenyl)sulfonylmorpholine-3-carboxamide
SMILESCc1cc(S(=O)(=O)N2CCOCC2C(N)=O)ccc1Br
InChIInChI=1S/C12H15BrN2O4S/c1-8-6-9(2-3-10(8)13)20(17,18)15-4-5-19-7-11(15)12(14)16/h2-3,6,11H,4-5,7H2,1H3,(H2,14,16)
InChIKeyFBSIPDNYMIDGFW-UHFFFAOYSA-N
MW363.23 g/mol
LogP0.63
Rot. Bonds3

About 4-(4-bromo-3-methylphenyl)sulfonylmorpholine-3-carboxamide

4-(4-bromo-3-methylphenyl)sulfonylmorpholine-3-carboxamide (PubChem CID 83092323) has the molecular formula C12H15BrN2O4S and a molecular weight of 363.23 g/mol. Its IUPAC name is 4-(4-bromo-3-methylphenyl)sulfonylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(4-bromo-3-methylphenyl)sulfonylmorpholine-3-carboxamide
PubChem CID83092323
Molecular FormulaC12H15BrN2O4S
Molecular Weight363.23 g/mol
Exact Mass361.99
IUPAC Name4-(4-bromo-3-methylphenyl)sulfonylmorpholine-3-carboxamide
SMILESCc1cc(S(=O)(=O)N2CCOCC2C(N)=O)ccc1Br
InChIInChI=1S/C12H15BrN2O4S/c1-8-6-9(2-3-10(8)13)20(17,18)15-4-5-19-7-11(15)12(14)16/h2-3,6,11H,4-5,7H2,1H3,(H2,14,16)
InChIKeyFBSIPDNYMIDGFW-UHFFFAOYSA-N
XLogP0.63
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.23
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4-(4-fluorophenyl)sulfonylmorpholine-3-carboxamide
CID 71193250
4-(5-amino-2-fluoro-4-methylphenyl)sulfonylmorpholine-3-carboxamide
CID 83093926
4-(2-bromo-4-fluorophenyl)sulfonylmorpholine-3-carboxamide
CID 83092795
4-(4-butan-2-ylphenyl)sulfonylmorpholine-3-carboxamide
CID 75397867
4-(2-bromo-4,6-difluorophenyl)sulfonylmorpholine-3-carboxamide
CID 83098970
4-(3-carbamoylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid
CID 83101664
5-bromo-4-(3-carbamoylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid
CID 83096729
4-bromo-3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]benzamide
CID 155180653
2-bromo-5-(3-ethylmorpholin-4-yl)sulfonylbenzoic acid
CID 43612960
4-(3-bromo-4-chlorophenyl)sulfonylmorpholin-3-amine
CID 106606150
1-(3-amino-4-bromophenyl)sulfonylpiperidine-2-carboxamide
CID 115328958
1-(4-cyano-3-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 106832975

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-methylphenyl)sulfonylmorpholine-3-carboxamide?
The IUPAC name of 4-(4-bromo-3-methylphenyl)sulfonylmorpholine-3-carboxamide (CID 83092323) is 4-(4-bromo-3-methylphenyl)sulfonylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(4-bromo-3-methylphenyl)sulfonylmorpholine-3-carboxamide?
The canonical SMILES for 4-(4-bromo-3-methylphenyl)sulfonylmorpholine-3-carboxamide is Cc1cc(S(=O)(=O)N2CCOCC2C(N)=O)ccc1Br.
What is the InChIKey of 4-(4-bromo-3-methylphenyl)sulfonylmorpholine-3-carboxamide?
The InChIKey is FBSIPDNYMIDGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O4S/c1-8-6-9(2-3-10(8)13)20(17,18)15-4-5-19-7-11(15)12(14)16/h2-3,6,11H,4-5,7H2,1H3,(H2,14,16).
What are the key properties of 4-(4-bromo-3-methylphenyl)sulfonylmorpholine-3-carboxamide?
4-(4-bromo-3-methylphenyl)sulfonylmorpholine-3-carboxamide has a molecular weight of 363.23 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-methylphenyl)sulfonylmorpholine-3-carboxamide is sourced from PubChem (CID 83092323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).