5-bromo-N-(4-bromophenyl)-2-[(3,4-dimethoxyphenyl)sulfinylamino]benzamide

C21H18Br2N2O4S — CID 141030476

IUPAC5-bromo-N-(4-bromophenyl)-2-[(3,4-dimethoxyphenyl)sulfinylamino]benzamide
SMILESCOc1ccc(S(=O)Nc2ccc(Br)cc2C(=O)Nc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C21H18Br2N2O4S/c1-28-19-10-8-16(12-20(19)29-2)30(27)25-18-9-5-14(23)11-17(18)21(26)24-15-6-3-13(22)4-7-15/h3-12,25H,1-2H3,(H,24,26)
InChIKeyPABSXDUZRLHZGN-UHFFFAOYSA-N
MW554.26 g/mol
LogP5.62
Rot. Bonds7

About 5-bromo-N-(4-bromophenyl)-2-[(3,4-dimethoxyphenyl)sulfinylamino]benzamide

5-bromo-N-(4-bromophenyl)-2-[(3,4-dimethoxyphenyl)sulfinylamino]benzamide (PubChem CID 141030476) has the molecular formula C21H18Br2N2O4S and a molecular weight of 554.26 g/mol. Its IUPAC name is 5-bromo-N-(4-bromophenyl)-2-[(3,4-dimethoxyphenyl)sulfinylamino]benzamide.

Molecular Properties

Compound Name5-bromo-N-(4-bromophenyl)-2-[(3,4-dimethoxyphenyl)sulfinylamino]benzamide
PubChem CID141030476
Molecular FormulaC21H18Br2N2O4S
Molecular Weight554.26 g/mol
Exact Mass551.94
IUPAC Name5-bromo-N-(4-bromophenyl)-2-[(3,4-dimethoxyphenyl)sulfinylamino]benzamide
SMILESCOc1ccc(S(=O)Nc2ccc(Br)cc2C(=O)Nc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C21H18Br2N2O4S/c1-28-19-10-8-16(12-20(19)29-2)30(27)25-18-9-5-14(23)11-17(18)21(26)24-15-6-3-13(22)4-7-15/h3-12,25H,1-2H3,(H,24,26)
InChIKeyPABSXDUZRLHZGN-UHFFFAOYSA-N
XLogP5.62
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.26
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide
CID 990540
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide
CID 17296371
5-bromo-N-[3-[(5-bromo-2-chlorobenzoyl)amino]-4-methoxyphenyl]-2-chlorobenzamide
CID 3910940
5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
CID 4660639
5-bromo-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 1299225
N-(4-bromophenyl)-4,5-dimethoxy-2-nitrobenzamide
CID 1350567
N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxyphenyl)sulfinylamino]benzamide
CID 141030437
propan-2-yl 4-[(5-bromo-2-methoxybenzoyl)amino]benzoate
CID 17050502
5-[(5-bromo-2-methoxybenzoyl)amino]-2-methylbenzoic acid
CID 17296186
5-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 17094248
N-(4-bromophenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7964867

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-bromophenyl)-2-[(3,4-dimethoxyphenyl)sulfinylamino]benzamide?
The IUPAC name of 5-bromo-N-(4-bromophenyl)-2-[(3,4-dimethoxyphenyl)sulfinylamino]benzamide (CID 141030476) is 5-bromo-N-(4-bromophenyl)-2-[(3,4-dimethoxyphenyl)sulfinylamino]benzamide.
What is the SMILES notation for 5-bromo-N-(4-bromophenyl)-2-[(3,4-dimethoxyphenyl)sulfinylamino]benzamide?
The canonical SMILES for 5-bromo-N-(4-bromophenyl)-2-[(3,4-dimethoxyphenyl)sulfinylamino]benzamide is COc1ccc(S(=O)Nc2ccc(Br)cc2C(=O)Nc2ccc(Br)cc2)cc1OC.
What is the InChIKey of 5-bromo-N-(4-bromophenyl)-2-[(3,4-dimethoxyphenyl)sulfinylamino]benzamide?
The InChIKey is PABSXDUZRLHZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Br2N2O4S/c1-28-19-10-8-16(12-20(19)29-2)30(27)25-18-9-5-14(23)11-17(18)21(26)24-15-6-3-13(22)4-7-15/h3-12,25H,1-2H3,(H,24,26).
What are the key properties of 5-bromo-N-(4-bromophenyl)-2-[(3,4-dimethoxyphenyl)sulfinylamino]benzamide?
5-bromo-N-(4-bromophenyl)-2-[(3,4-dimethoxyphenyl)sulfinylamino]benzamide has a molecular weight of 554.26 g/mol, XLogP of 5.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-bromophenyl)-2-[(3,4-dimethoxyphenyl)sulfinylamino]benzamide is sourced from PubChem (CID 141030476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).