5-bromo-2-[4-bromo-2-(dibutylsulfamoyl)phenyl]benzenesulfonamide

C20H26Br2N2O4S2 — CID 66619210

IUPAC5-bromo-2-[4-bromo-2-(dibutylsulfamoyl)phenyl]benzenesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1cc(Br)ccc1-c1ccc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C20H26Br2N2O4S2/c1-3-5-11-24(12-6-4-2)30(27,28)20-14-16(22)8-10-18(20)17-9-7-15(21)13-19(17)29(23,25)26/h7-10,13-14H,3-6,11-12H2,1-2H3,(H2,23,25,26)
InChIKeyNJOIULXMHCLMHC-UHFFFAOYSA-N
MW582.38 g/mol
LogP5.12
Rot. Bonds10

About 5-bromo-2-[4-bromo-2-(dibutylsulfamoyl)phenyl]benzenesulfonamide

5-bromo-2-[4-bromo-2-(dibutylsulfamoyl)phenyl]benzenesulfonamide (PubChem CID 66619210) has the molecular formula C20H26Br2N2O4S2 and a molecular weight of 582.38 g/mol. Its IUPAC name is 5-bromo-2-[4-bromo-2-(dibutylsulfamoyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-[4-bromo-2-(dibutylsulfamoyl)phenyl]benzenesulfonamide
PubChem CID66619210
Molecular FormulaC20H26Br2N2O4S2
Molecular Weight582.38 g/mol
Exact Mass579.97
IUPAC Name5-bromo-2-[4-bromo-2-(dibutylsulfamoyl)phenyl]benzenesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1cc(Br)ccc1-c1ccc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C20H26Br2N2O4S2/c1-3-5-11-24(12-6-4-2)30(27,28)20-14-16(22)8-10-18(20)17-9-7-15(21)13-19(17)29(23,25)26/h7-10,13-14H,3-6,11-12H2,1-2H3,(H2,23,25,26)
InChIKeyNJOIULXMHCLMHC-UHFFFAOYSA-N
XLogP5.12
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.38
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[4-bromo-2-[di(pentadecyl)sulfamoyl]phenyl]benzenesulfonamide
CID 69025623
2-[2-[bis(2-methylpropyl)sulfamoyl]-4-bromophenyl]-5-bromobenzenesulfonamide
CID 66619301
2-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111458
2-[butyl-(2,4-dibromophenyl)sulfonylamino]acetamide
CID 47318380
2-[2-[bis(trifluoromethylsulfonyl)sulfamoyl]-4-bromophenyl]-5-bromobenzenesulfonamide
CID 87764272
2,5-dibromo-N-butyl-N-methylbenzenesulfonamide
CID 43845506
4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111455
2-amino-5-bromo-N,N-dibutyl-4-fluorobenzenesulfonamide
CID 106491360
5-bromo-2-methoxy-N,N-dipropylbenzenesulfonamide
CID 7749525
2-[(2,5-dibromophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide
CID 76927504
4-bromo-N,N-dibutyl-3-methylbenzenesulfonamide
CID 60707695
4-amino-N,N-dibutyl-2-methylbenzenesulfonamide
CID 43258806

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[4-bromo-2-(dibutylsulfamoyl)phenyl]benzenesulfonamide?
The IUPAC name of 5-bromo-2-[4-bromo-2-(dibutylsulfamoyl)phenyl]benzenesulfonamide (CID 66619210) is 5-bromo-2-[4-bromo-2-(dibutylsulfamoyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-[4-bromo-2-(dibutylsulfamoyl)phenyl]benzenesulfonamide?
The canonical SMILES for 5-bromo-2-[4-bromo-2-(dibutylsulfamoyl)phenyl]benzenesulfonamide is CCCCN(CCCC)S(=O)(=O)c1cc(Br)ccc1-c1ccc(Br)cc1S(N)(=O)=O.
What is the InChIKey of 5-bromo-2-[4-bromo-2-(dibutylsulfamoyl)phenyl]benzenesulfonamide?
The InChIKey is NJOIULXMHCLMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Br2N2O4S2/c1-3-5-11-24(12-6-4-2)30(27,28)20-14-16(22)8-10-18(20)17-9-7-15(21)13-19(17)29(23,25)26/h7-10,13-14H,3-6,11-12H2,1-2H3,(H2,23,25,26).
What are the key properties of 5-bromo-2-[4-bromo-2-(dibutylsulfamoyl)phenyl]benzenesulfonamide?
5-bromo-2-[4-bromo-2-(dibutylsulfamoyl)phenyl]benzenesulfonamide has a molecular weight of 582.38 g/mol, XLogP of 5.12, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[4-bromo-2-(dibutylsulfamoyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 66619210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).