N-(4-bromophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]benzamide

C21H19BrN2O4S — CID 2332106

IUPACN-(4-bromophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C21H19BrN2O4S/c1-2-28-17-11-13-18(14-12-17)29(26,27)24-20-6-4-3-5-19(20)21(25)23-16-9-7-15(22)8-10-16/h3-14,24H,2H2,1H3,(H,23,25)
InChIKeyGLXVQVZQHGCBGO-UHFFFAOYSA-N
MW475.36 g/mol
LogP4.90
Rot. Bonds7

About N-(4-bromophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]benzamide

N-(4-bromophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]benzamide (PubChem CID 2332106) has the molecular formula C21H19BrN2O4S and a molecular weight of 475.36 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]benzamide
PubChem CID2332106
Molecular FormulaC21H19BrN2O4S
Molecular Weight475.36 g/mol
Exact Mass474.02
IUPAC NameN-(4-bromophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C21H19BrN2O4S/c1-2-28-17-11-13-18(14-12-17)29(26,27)24-20-6-4-3-5-19(20)21(25)23-16-9-7-15(22)8-10-16/h3-14,24H,2H2,1H3,(H,23,25)
InChIKeyGLXVQVZQHGCBGO-UHFFFAOYSA-N
XLogP4.90
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.36
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromophenyl)sulfonylamino]-N-phenylbenzamide
CID 2332035
5-bromo-2-ethoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17352919
2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 1006691
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062466
N-(4-ethoxyphenyl)-2-[(2-nitrophenyl)sulfonylamino]benzamide
CID 26949935
5-bromo-2-butoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17350003
methyl 2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]sulfonylamino]benzoate
CID 68579485
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-nitrobenzamide
CID 1324756
2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126414109
2-(benzenesulfonamido)-N-(4-phenoxyphenyl)benzamide
CID 3900171
1-[[2-[(4-ethoxyphenyl)sulfonylamino]benzoyl]amino]-3-ethylthiourea
CID 2347505
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 126184661

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(4-bromophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]benzamide (CID 2332106) is N-(4-bromophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]benzamide is CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]benzamide?
The InChIKey is GLXVQVZQHGCBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O4S/c1-2-28-17-11-13-18(14-12-17)29(26,27)24-20-6-4-3-5-19(20)21(25)23-16-9-7-15(22)8-10-16/h3-14,24H,2H2,1H3,(H,23,25).
What are the key properties of N-(4-bromophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]benzamide?
N-(4-bromophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]benzamide has a molecular weight of 475.36 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 2332106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).