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

C21H25BrN2O4S — CID 26639223

IUPAC4-bromo-N-(4-butylphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C21H25BrN2O4S/c1-2-3-4-16-5-8-18(9-6-16)23-21(25)17-7-10-19(22)20(15-17)29(26,27)24-11-13-28-14-12-24/h5-10,15H,2-4,11-14H2,1H3,(H,23,25)
InChIKeyPUUUGRQAHCAGGU-UHFFFAOYSA-N
MW481.41 g/mol
LogP4.06
Rot. Bonds7

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

4-bromo-N-(4-butylphenyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 26639223) has the molecular formula C21H25BrN2O4S and a molecular weight of 481.41 g/mol. Its IUPAC name is 4-bromo-N-(4-butylphenyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(4-butylphenyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID26639223
Molecular FormulaC21H25BrN2O4S
Molecular Weight481.41 g/mol
Exact Mass480.07
IUPAC Name4-bromo-N-(4-butylphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C21H25BrN2O4S/c1-2-3-4-16-5-8-18(9-6-16)23-21(25)17-7-10-19(22)20(15-17)29(26,27)24-11-13-28-14-12-24/h5-10,15H,2-4,11-14H2,1H3,(H,23,25)
InChIKeyPUUUGRQAHCAGGU-UHFFFAOYSA-N
XLogP4.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-butylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide
CID 26639213
4-bromo-3-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
CID 39954292
4-bromo-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 24637915
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-propylbenzamide
CID 47718513
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 4-bromo-3-morpholin-4-ylsulfonylbenzoate
CID 98413004
N-(4-butylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 8833039
methyl 4-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 30839746
N-(4-butylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8961050
4-ethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 30840501
4-bromo-N-(4-fluoro-3-nitrophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26696937
3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-4-propoxybenzamide
CID 17342731
2-[(4-bromo-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid
CID 1378927

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-butylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-bromo-N-(4-butylphenyl)-3-morpholin-4-ylsulfonylbenzamide (CID 26639223) is 4-bromo-N-(4-butylphenyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-bromo-N-(4-butylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-bromo-N-(4-butylphenyl)-3-morpholin-4-ylsulfonylbenzamide is CCCCc1ccc(NC(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of 4-bromo-N-(4-butylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is PUUUGRQAHCAGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O4S/c1-2-3-4-16-5-8-18(9-6-16)23-21(25)17-7-10-19(22)20(15-17)29(26,27)24-11-13-28-14-12-24/h5-10,15H,2-4,11-14H2,1H3,(H,23,25).
What are the key properties of 4-bromo-N-(4-butylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
4-bromo-N-(4-butylphenyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 481.41 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-butylphenyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 26639223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).