4-(diethylsulfamoyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide

C24H27N3O6S2 — CID 17308419

IUPAC4-(diethylsulfamoyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C24H27N3O6S2/c1-4-27(5-2)35(31,32)23-14-6-18(7-15-23)24(28)25-19-10-16-22(17-11-19)34(29,30)26-20-8-12-21(33-3)13-9-20/h6-17,26H,4-5H2,1-3H3,(H,25,28)
InChIKeyORAKAQLPZNMODJ-UHFFFAOYSA-N
MW517.63 g/mol
LogP3.78
Rot. Bonds10

About 4-(diethylsulfamoyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide

4-(diethylsulfamoyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 17308419) has the molecular formula C24H27N3O6S2 and a molecular weight of 517.63 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
PubChem CID17308419
Molecular FormulaC24H27N3O6S2
Molecular Weight517.63 g/mol
Exact Mass517.13
IUPAC Name4-(diethylsulfamoyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C24H27N3O6S2/c1-4-27(5-2)35(31,32)23-14-6-18(7-15-23)24(28)25-19-10-16-22(17-11-19)34(29,30)26-20-8-12-21(33-3)13-9-20/h6-17,26H,4-5H2,1-3H3,(H,25,28)
InChIKeyORAKAQLPZNMODJ-UHFFFAOYSA-N
XLogP3.78
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.63
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(diethylsulfamoyl)phenyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 2227381
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
N-[4-(dibutylsulfamoyl)phenyl]-4-methoxybenzamide
CID 4190675
4-[benzenesulfonyl(methyl)amino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43882282
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158
4-(2-ethoxyethoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17112535
4-(ethylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 9411925
N,N-dibutyl-4-[(4-methoxyphenyl)sulfonylamino]benzenesulfonamide
CID 2187490
N-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26695232
N-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26593901
N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7553556
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide (CID 17308419) is 4-(diethylsulfamoyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is ORAKAQLPZNMODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O6S2/c1-4-27(5-2)35(31,32)23-14-6-18(7-15-23)24(28)25-19-10-16-22(17-11-19)34(29,30)26-20-8-12-21(33-3)13-9-20/h6-17,26H,4-5H2,1-3H3,(H,25,28).
What are the key properties of 4-(diethylsulfamoyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
4-(diethylsulfamoyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 517.63 g/mol, XLogP of 3.78, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 17308419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).