2-[2-[bis(2-methylpropyl)sulfamoyl]-4-bromophenyl]-5-bromobenzenesulfonamide

C20H26Br2N2O4S2 — CID 66619301

IUPAC2-[2-[bis(2-methylpropyl)sulfamoyl]-4-bromophenyl]-5-bromobenzenesulfonamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1cc(Br)ccc1-c1ccc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C20H26Br2N2O4S2/c1-13(2)11-24(12-14(3)4)30(27,28)20-10-16(22)6-8-18(20)17-7-5-15(21)9-19(17)29(23,25)26/h5-10,13-14H,11-12H2,1-4H3,(H2,23,25,26)
InChIKeyRKBZRSMYPFITAZ-UHFFFAOYSA-N
MW582.38 g/mol
LogP4.83
Rot. Bonds8

About 2-[2-[bis(2-methylpropyl)sulfamoyl]-4-bromophenyl]-5-bromobenzenesulfonamide

2-[2-[bis(2-methylpropyl)sulfamoyl]-4-bromophenyl]-5-bromobenzenesulfonamide (PubChem CID 66619301) has the molecular formula C20H26Br2N2O4S2 and a molecular weight of 582.38 g/mol. Its IUPAC name is 2-[2-[bis(2-methylpropyl)sulfamoyl]-4-bromophenyl]-5-bromobenzenesulfonamide.

Molecular Properties

Compound Name2-[2-[bis(2-methylpropyl)sulfamoyl]-4-bromophenyl]-5-bromobenzenesulfonamide
PubChem CID66619301
Molecular FormulaC20H26Br2N2O4S2
Molecular Weight582.38 g/mol
Exact Mass579.97
IUPAC Name2-[2-[bis(2-methylpropyl)sulfamoyl]-4-bromophenyl]-5-bromobenzenesulfonamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1cc(Br)ccc1-c1ccc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C20H26Br2N2O4S2/c1-13(2)11-24(12-14(3)4)30(27,28)20-10-16(22)6-8-18(20)17-7-5-15(21)9-19(17)29(23,25)26/h5-10,13-14H,11-12H2,1-4H3,(H2,23,25,26)
InChIKeyRKBZRSMYPFITAZ-UHFFFAOYSA-N
XLogP4.83
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.38
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 63420895
5-bromo-2-[4-bromo-2-(dibutylsulfamoyl)phenyl]benzenesulfonamide
CID 66619210
5-bromo-2-[4-bromo-2-[di(pentadecyl)sulfamoyl]phenyl]benzenesulfonamide
CID 69025623
4-amino-2-bromo-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587401
2-amino-5-bromo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61105712
2,5-dibromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 61218146
2-[2-[bis(trifluoromethylsulfonyl)sulfamoyl]-4-bromophenyl]-5-bromobenzenesulfonamide
CID 87764272
2,5-dibromo-N,N-di(propan-2-yl)benzenesulfonamide
CID 66619434
4-bromo-N-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 60765605
5-amino-2-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587392
4-bromo-2-(1-bromoethyl)benzenesulfonamide
CID 174997460
3-bromo-6-(4-bromo-2-sulfamoylphenyl)-2,4-bis(2,2-dimethylpropyl)benzenesulfonamide
CID 141203249

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(2-methylpropyl)sulfamoyl]-4-bromophenyl]-5-bromobenzenesulfonamide?
The IUPAC name of 2-[2-[bis(2-methylpropyl)sulfamoyl]-4-bromophenyl]-5-bromobenzenesulfonamide (CID 66619301) is 2-[2-[bis(2-methylpropyl)sulfamoyl]-4-bromophenyl]-5-bromobenzenesulfonamide.
What is the SMILES notation for 2-[2-[bis(2-methylpropyl)sulfamoyl]-4-bromophenyl]-5-bromobenzenesulfonamide?
The canonical SMILES for 2-[2-[bis(2-methylpropyl)sulfamoyl]-4-bromophenyl]-5-bromobenzenesulfonamide is CC(C)CN(CC(C)C)S(=O)(=O)c1cc(Br)ccc1-c1ccc(Br)cc1S(N)(=O)=O.
What is the InChIKey of 2-[2-[bis(2-methylpropyl)sulfamoyl]-4-bromophenyl]-5-bromobenzenesulfonamide?
The InChIKey is RKBZRSMYPFITAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Br2N2O4S2/c1-13(2)11-24(12-14(3)4)30(27,28)20-10-16(22)6-8-18(20)17-7-5-15(21)9-19(17)29(23,25)26/h5-10,13-14H,11-12H2,1-4H3,(H2,23,25,26).
What are the key properties of 2-[2-[bis(2-methylpropyl)sulfamoyl]-4-bromophenyl]-5-bromobenzenesulfonamide?
2-[2-[bis(2-methylpropyl)sulfamoyl]-4-bromophenyl]-5-bromobenzenesulfonamide has a molecular weight of 582.38 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(2-methylpropyl)sulfamoyl]-4-bromophenyl]-5-bromobenzenesulfonamide is sourced from PubChem (CID 66619301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).