4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(4-bromophenyl)benzamide

C22H19BrN2O4S — CID 29371083

IUPAC4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(4-bromophenyl)benzamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C22H19BrN2O4S/c1-15(26)17-6-12-21(13-7-17)30(28,29)24-14-16-2-4-18(5-3-16)22(27)25-20-10-8-19(23)9-11-20/h2-13,24H,14H2,1H3,(H,25,27)
InChIKeyHYJWOLGQCMFUNO-UHFFFAOYSA-N
MW487.38 g/mol
LogP4.38
Rot. Bonds7

About 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(4-bromophenyl)benzamide

4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(4-bromophenyl)benzamide (PubChem CID 29371083) has the molecular formula C22H19BrN2O4S and a molecular weight of 487.38 g/mol. Its IUPAC name is 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(4-bromophenyl)benzamide.

Molecular Properties

Compound Name4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(4-bromophenyl)benzamide
PubChem CID29371083
Molecular FormulaC22H19BrN2O4S
Molecular Weight487.38 g/mol
Exact Mass486.02
IUPAC Name4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(4-bromophenyl)benzamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C22H19BrN2O4S/c1-15(26)17-6-12-21(13-7-17)30(28,29)24-14-16-2-4-18(5-3-16)22(27)25-20-10-8-19(23)9-11-20/h2-13,24H,14H2,1H3,(H,25,27)
InChIKeyHYJWOLGQCMFUNO-UHFFFAOYSA-N
XLogP4.38
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.38
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(3-fluoro-4-methylphenyl)benzamide
CID 34228029
1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
CID 4929117
N-[4-(acetylsulfamoyl)phenyl]-4-bromobenzamide
CID 4134405
4-[(4-bromophenyl)methylsulfamoyl]benzoic acid
CID 60725668
N-(4-bromophenyl)-4-(methylsulfamoyl)benzamide
CID 35436567
1-[4-[[(4-bromophenyl)sulfonylamino]methyl]phenyl]-3-propan-2-ylurea
CID 39666103
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide
CID 8621593
N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide
CID 15990884
4-[[(4-bromophenyl)sulfonylamino]methyl]-N-butan-2-ylbenzamide
CID 25044694
4-bromo-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 5049971
4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 20854229
4-[4-(benzylsulfamoyl)phenyl]-N-phenylbenzamide
CID 46385849

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(4-bromophenyl)benzamide?
The IUPAC name of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(4-bromophenyl)benzamide (CID 29371083) is 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(4-bromophenyl)benzamide.
What is the SMILES notation for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(4-bromophenyl)benzamide?
The canonical SMILES for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(4-bromophenyl)benzamide is CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)cc1.
What is the InChIKey of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(4-bromophenyl)benzamide?
The InChIKey is HYJWOLGQCMFUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O4S/c1-15(26)17-6-12-21(13-7-17)30(28,29)24-14-16-2-4-18(5-3-16)22(27)25-20-10-8-19(23)9-11-20/h2-13,24H,14H2,1H3,(H,25,27).
What are the key properties of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(4-bromophenyl)benzamide?
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(4-bromophenyl)benzamide has a molecular weight of 487.38 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(4-bromophenyl)benzamide is sourced from PubChem (CID 29371083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).