N-(4-bromophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide

C18H19BrN2O4S — CID 1119024

IUPACN-(4-bromophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Br)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H19BrN2O4S/c1-13-2-3-14(18(22)20-16-6-4-15(19)5-7-16)12-17(13)26(23,24)21-8-10-25-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)
InChIKeyFHBFPYGVGFHZEY-UHFFFAOYSA-N
MW439.33 g/mol
LogP3.03
Rot. Bonds4

About N-(4-bromophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide

N-(4-bromophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 1119024) has the molecular formula C18H19BrN2O4S and a molecular weight of 439.33 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID1119024
Molecular FormulaC18H19BrN2O4S
Molecular Weight439.33 g/mol
Exact Mass438.02
IUPAC NameN-(4-bromophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Br)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H19BrN2O4S/c1-13-2-3-14(18(22)20-16-6-4-15(19)5-7-16)12-17(13)26(23,24)21-8-10-25-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)
InChIKeyFHBFPYGVGFHZEY-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

3-((benzylamino)sulfonyl)-4-bromo-N-(4-bromophenyl)benzamide
CID 1039737
3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide
CID 1328033
N-(4-bromophenyl) 3-(4-bromophenylaminosulfonyl)benzamide
CID 1076689
N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558
3-bromo-4-methyl-N-[4-(morpholin-4-ylsulfonyl)phenyl]benzamide
CID 1013383
2-bromo-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 4173596
4-methyl-3-[(4-methyl-1-piperazinyl)sulfonyl]-N-phenylbenzamide
CID 6461347
4-bromo-N-(4-bromophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 1039736
3-(diethylsulfamoyl)-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 3240611
4-(morpholin-4-ylmethyl)-N-[4-(piperidin-1-ylsulfonyl)phenyl]benzamide
CID 1138680
4-Methyl-N-phenyl-3-(piperidine-1-sulfonyl)-benzamide
CID 1144102

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(4-bromophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide (CID 1119024) is N-(4-bromophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-bromophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(4-bromophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide is Cc1ccc(C(=O)Nc2ccc(Br)cc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-bromophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is FHBFPYGVGFHZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4S/c1-13-2-3-14(18(22)20-16-6-4-15(19)5-7-16)12-17(13)26(23,24)21-8-10-25-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22).
What are the key properties of N-(4-bromophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
N-(4-bromophenyl)-4-methyl-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-bromophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1119024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).