3-(4-bromophenyl)sulfonyl-N-(2,4-dimethyl-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide

C24H25BrN2O7S3 — CID 171989502

IUPAC3-(4-bromophenyl)sulfonyl-N-(2,4-dimethyl-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1cccc(S(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C24H25BrN2O7S3/c1-17-14-18(2)24(37(32,33)27-10-12-34-13-11-27)16-23(17)26-36(30,31)22-5-3-4-21(15-22)35(28,29)20-8-6-19(25)7-9-20/h3-9,14-16,26H,10-13H2,1-2H3
InChIKeyVKSVPWRRQFIOKK-UHFFFAOYSA-N
MW629.58 g/mol
LogP3.72
Rot. Bonds7

About 3-(4-bromophenyl)sulfonyl-N-(2,4-dimethyl-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide

3-(4-bromophenyl)sulfonyl-N-(2,4-dimethyl-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide (PubChem CID 171989502) has the molecular formula C24H25BrN2O7S3 and a molecular weight of 629.58 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-N-(2,4-dimethyl-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-N-(2,4-dimethyl-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
PubChem CID171989502
Molecular FormulaC24H25BrN2O7S3
Molecular Weight629.58 g/mol
Exact Mass628.00
IUPAC Name3-(4-bromophenyl)sulfonyl-N-(2,4-dimethyl-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1cccc(S(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C24H25BrN2O7S3/c1-17-14-18(2)24(37(32,33)27-10-12-34-13-11-27)16-23(17)26-36(30,31)22-5-3-4-21(15-22)35(28,29)20-8-6-19(25)7-9-20/h3-9,14-16,26H,10-13H2,1-2H3
InChIKeyVKSVPWRRQFIOKK-UHFFFAOYSA-N
XLogP3.72
TPSA126.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500629.58
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(benzenesulfonyl)-2-methylphenyl]sulfonylmorpholine
CID 1097196
3-[(4-bromophenyl)sulfamoyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4691629
4-[3-(3-morpholin-4-ylsulfonylphenyl)sulfonylphenyl]sulfonylmorpholine
CID 2054799
N-(2,3-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 7938577
N-(2-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 167792664
N-methyl-3-morpholin-4-ylsulfonylbenzenesulfonamide
CID 49236430
1-(5-bromo-2-methylphenyl)sulfonylazepane
CID 876435
3-(4-bromophenyl)sulfonyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 56688809
N-(2-methylphenyl)-3-[3-[(2-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 2833501
3-[(5-bromo-2-methylphenyl)sulfamoyl]benzoic acid
CID 43715694
N-(4-bromophenyl)-2-(4-methyl-3-morpholin-4-ylsulfonylanilino)acetamide
CID 26438150
3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 16761701

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(2,4-dimethyl-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(2,4-dimethyl-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide (CID 171989502) is 3-(4-bromophenyl)sulfonyl-N-(2,4-dimethyl-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-N-(2,4-dimethyl-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-N-(2,4-dimethyl-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1cccc(S(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-N-(2,4-dimethyl-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The InChIKey is VKSVPWRRQFIOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN2O7S3/c1-17-14-18(2)24(37(32,33)27-10-12-34-13-11-27)16-23(17)26-36(30,31)22-5-3-4-21(15-22)35(28,29)20-8-6-19(25)7-9-20/h3-9,14-16,26H,10-13H2,1-2H3.
What are the key properties of 3-(4-bromophenyl)sulfonyl-N-(2,4-dimethyl-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
3-(4-bromophenyl)sulfonyl-N-(2,4-dimethyl-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide has a molecular weight of 629.58 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfonyl-N-(2,4-dimethyl-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 171989502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).