4-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide

C20H17BrN2O4S — CID 26979377

IUPAC4-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C20H17BrN2O4S/c1-27-19-8-3-2-7-18(19)22-20(24)14-9-11-16(12-10-14)23-28(25,26)17-6-4-5-15(21)13-17/h2-13,23H,1H3,(H,22,24)
InChIKeyVLDIHNCWQHMPEV-UHFFFAOYSA-N
MW461.34 g/mol
LogP4.51
Rot. Bonds6

About 4-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide

4-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide (PubChem CID 26979377) has the molecular formula C20H17BrN2O4S and a molecular weight of 461.34 g/mol. Its IUPAC name is 4-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
PubChem CID26979377
Molecular FormulaC20H17BrN2O4S
Molecular Weight461.34 g/mol
Exact Mass460.01
IUPAC Name4-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C20H17BrN2O4S/c1-27-19-8-3-2-7-18(19)22-20(24)14-9-11-16(12-10-14)23-28(25,26)17-6-4-5-15(21)13-17/h2-13,23H,1H3,(H,22,24)
InChIKeyVLDIHNCWQHMPEV-UHFFFAOYSA-N
XLogP4.51
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.34
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
N-(2-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7939173
4-[(4-ethylphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
CID 7516537
4-(benzenesulfonamido)-N-[4-[4-[[4-(benzenesulfonamido)benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 121043668
N-[3-[(3-bromophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 7938360
4-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26538003
4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide
CID 24643343
3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 52644751
3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(2-chlorophenyl)benzamide
CID 26575177
N-(3-bromophenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26537602
4-(benzenesulfonamido)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126415575
3-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-N,N-dimethylbenzamide
CID 30379129

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 4-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide (CID 26979377) is 4-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 4-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1.
What is the InChIKey of 4-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide?
The InChIKey is VLDIHNCWQHMPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O4S/c1-27-19-8-3-2-7-18(19)22-20(24)14-9-11-16(12-10-14)23-28(25,26)17-6-4-5-15(21)13-17/h2-13,23H,1H3,(H,22,24).
What are the key properties of 4-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide?
4-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide has a molecular weight of 461.34 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 26979377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).