3-bromo-4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide

C18H19BrN2O4S — CID 1013383

IUPAC3-bromo-4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Br
InChIInChI=1S/C18H19BrN2O4S/c1-13-2-3-14(12-17(13)19)18(22)20-15-4-6-16(7-5-15)26(23,24)21-8-10-25-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)
InChIKeyLAVYTQSXSBXXBH-UHFFFAOYSA-N
MW439.33 g/mol
LogP3.03
Rot. Bonds4

About 3-bromo-4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide

3-bromo-4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 1013383) has the molecular formula C18H19BrN2O4S and a molecular weight of 439.33 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID1013383
Molecular FormulaC18H19BrN2O4S
Molecular Weight439.33 g/mol
Exact Mass438.02
IUPAC Name3-bromo-4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Br
InChIInChI=1S/C18H19BrN2O4S/c1-13-2-3-14(12-17(13)19)18(22)20-15-4-6-16(7-5-15)26(23,24)21-8-10-25-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)
InChIKeyLAVYTQSXSBXXBH-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-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558
2-bromo-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 4173596
N-(4-Bromophenyl)-4-methyl-3-(morpholine-4-sulfonyl)benzamide
CID 1119024
4-(morpholin-4-ylmethyl)-N-[4-(piperidin-1-ylsulfonyl)phenyl]benzamide
CID 1138680
2-[4-(4-Bromo-benzoylamino)-benzenesulfonylamino]-6-morpholin-4-yl-hex-4-ynoic acid
CID 10769007
3-[(4-bromophenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 25163735
4-(Morpholine-4-sulfonyl)-N-phenyl-benzamide
CID 777437
3-methyl-N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)benzamide
CID 1051609
4-bromo-N-phenyl-3-piperidin-1-ylsulfonylbenzamide
CID 1110928
Cambridge id 6798408
CID 1163750
3,4-Dimethyl-N-[4-(morpholine-4-sulfonyl)-phenyl]-benzamide
CID 1164273

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 3-bromo-4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide (CID 1013383) is 3-bromo-4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-bromo-4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3-bromo-4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide is Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Br.
What is the InChIKey of 3-bromo-4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is LAVYTQSXSBXXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4S/c1-13-2-3-14(12-17(13)19)18(22)20-15-4-6-16(7-5-15)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 3-bromo-4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
3-bromo-4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide 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 3-bromo-4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 1013383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).