N-(4-bromo-3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide

C18H19BrN2O4S — CID 2710113

IUPACN-(4-bromo-3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1Br
InChIInChI=1S/C18H19BrN2O4S/c1-13-11-15(5-6-17(13)19)20-18(22)14-3-2-4-16(12-14)26(23,24)21-7-9-25-10-8-21/h2-6,11-12H,7-10H2,1H3,(H,20,22)
InChIKeyCTFQAEHNEDPBRV-UHFFFAOYSA-N
MW439.33 g/mol
LogP3.03
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide

N-(4-bromo-3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 2710113) has the molecular formula C18H19BrN2O4S and a molecular weight of 439.33 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID2710113
Molecular FormulaC18H19BrN2O4S
Molecular Weight439.33 g/mol
Exact Mass438.02
IUPAC NameN-(4-bromo-3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1Br
InChIInChI=1S/C18H19BrN2O4S/c1-13-11-15(5-6-17(13)19)20-18(22)14-3-2-4-16(12-14)26(23,24)21-7-9-25-10-8-21/h2-6,11-12H,7-10H2,1H3,(H,20,22)
InChIKeyCTFQAEHNEDPBRV-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-methylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2382518
N-(4-fluoro-3-methylphenyl)-3-(1,4-oxazepan-4-ylsulfonyl)benzamide
CID 123184223
N-(4-bromo-3-methylphenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 41152859
N-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081959
N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081958
3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4799420
N-(3,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 17016205
N-[4-(diethylamino)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2665791
3-[(4-bromophenyl)sulfamoyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4691629
3-iodo-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 42991896
N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 3876416
N-[1-(3,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 3396838

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide (CID 2710113) is N-(4-bromo-3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide is Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is CTFQAEHNEDPBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4S/c1-13-11-15(5-6-17(13)19)20-18(22)14-3-2-4-16(12-14)26(23,24)21-7-9-25-10-8-21/h2-6,11-12H,7-10H2,1H3,(H,20,22).
What are the key properties of N-(4-bromo-3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
N-(4-bromo-3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 439.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2710113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).