4-bromo-2-butan-2-yl-N,N-dimethyl-5-propan-2-ylbenzenesulfonamide;2-bromo-4-butan-2-yl-1-propan-2-ylbenzene

C28H43Br2NO2S — CID 163667057

IUPAC4-bromo-2-butan-2-yl-N,N-dimethyl-5-propan-2-ylbenzenesulfonamide;2-bromo-4-butan-2-yl-1-propan-2-ylbenzene
SMILESCCC(C)c1cc(Br)c(C(C)C)cc1S(=O)(=O)N(C)C.CCC(C)c1ccc(C(C)C)c(Br)c1
InChIInChI=1S/C15H24BrNO2S.C13H19Br/c1-7-11(4)13-8-14(16)12(10(2)3)9-15(13)20(18,19)17(5)6;1-5-10(4)11-6-7-12(9(2)3)13(14)8-11/h8-11H,7H2,1-6H3;6-10H,5H2,1-4H3
InChIKeyIZJIDFFKEZJSSZ-UHFFFAOYSA-N
MW617.53 g/mol
LogP9.42
Rot. Bonds8

About 4-bromo-2-butan-2-yl-N,N-dimethyl-5-propan-2-ylbenzenesulfonamide;2-bromo-4-butan-2-yl-1-propan-2-ylbenzene

4-bromo-2-butan-2-yl-N,N-dimethyl-5-propan-2-ylbenzenesulfonamide;2-bromo-4-butan-2-yl-1-propan-2-ylbenzene (PubChem CID 163667057) has the molecular formula C28H43Br2NO2S and a molecular weight of 617.53 g/mol. Its IUPAC name is 4-bromo-2-butan-2-yl-N,N-dimethyl-5-propan-2-ylbenzenesulfonamide;2-bromo-4-butan-2-yl-1-propan-2-ylbenzene.

Molecular Properties

Compound Name4-bromo-2-butan-2-yl-N,N-dimethyl-5-propan-2-ylbenzenesulfonamide;2-bromo-4-butan-2-yl-1-propan-2-ylbenzene
PubChem CID163667057
Molecular FormulaC28H43Br2NO2S
Molecular Weight617.53 g/mol
Exact Mass615.14
IUPAC Name4-bromo-2-butan-2-yl-N,N-dimethyl-5-propan-2-ylbenzenesulfonamide;2-bromo-4-butan-2-yl-1-propan-2-ylbenzene
SMILESCCC(C)c1cc(Br)c(C(C)C)cc1S(=O)(=O)N(C)C.CCC(C)c1ccc(C(C)C)c(Br)c1
InChIInChI=1S/C15H24BrNO2S.C13H19Br/c1-7-11(4)13-8-14(16)12(10(2)3)9-15(13)20(18,19)17(5)6;1-5-10(4)11-6-7-12(9(2)3)13(14)8-11/h8-11H,7H2,1-6H3;6-10H,5H2,1-4H3
InChIKeyIZJIDFFKEZJSSZ-UHFFFAOYSA-N
XLogP9.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.53
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2-butan-2-yl-N,N-dimethyl-5-propan-2-ylbenzenesulfonamide;2-bromo-4-butan-2-yl-1-propan-2-ylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 50876941
CID 50876941
CID 85826950
CID 85826950
CID 16644725
CID 16644725
CID 19013678
CID 19013678
CID 21491943
CID 21491943
CID 21492035
CID 21492035
CID 21492050
CID 21492050
CID 21492131
CID 21492131
CID 21556733
CID 21556733
CID 21556748
CID 21556748
CID 53756129
CID 53756129
CID 142778960
CID 142778960

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-butan-2-yl-N,N-dimethyl-5-propan-2-ylbenzenesulfonamide;2-bromo-4-butan-2-yl-1-propan-2-ylbenzene?
The IUPAC name of 4-bromo-2-butan-2-yl-N,N-dimethyl-5-propan-2-ylbenzenesulfonamide;2-bromo-4-butan-2-yl-1-propan-2-ylbenzene (CID 163667057) is 4-bromo-2-butan-2-yl-N,N-dimethyl-5-propan-2-ylbenzenesulfonamide;2-bromo-4-butan-2-yl-1-propan-2-ylbenzene.
What is the SMILES notation for 4-bromo-2-butan-2-yl-N,N-dimethyl-5-propan-2-ylbenzenesulfonamide;2-bromo-4-butan-2-yl-1-propan-2-ylbenzene?
The canonical SMILES for 4-bromo-2-butan-2-yl-N,N-dimethyl-5-propan-2-ylbenzenesulfonamide;2-bromo-4-butan-2-yl-1-propan-2-ylbenzene is CCC(C)c1cc(Br)c(C(C)C)cc1S(=O)(=O)N(C)C.CCC(C)c1ccc(C(C)C)c(Br)c1.
What is the InChIKey of 4-bromo-2-butan-2-yl-N,N-dimethyl-5-propan-2-ylbenzenesulfonamide;2-bromo-4-butan-2-yl-1-propan-2-ylbenzene?
The InChIKey is IZJIDFFKEZJSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2S.C13H19Br/c1-7-11(4)13-8-14(16)12(10(2)3)9-15(13)20(18,19)17(5)6;1-5-10(4)11-6-7-12(9(2)3)13(14)8-11/h8-11H,7H2,1-6H3;6-10H,5H2,1-4H3.
What are the key properties of 4-bromo-2-butan-2-yl-N,N-dimethyl-5-propan-2-ylbenzenesulfonamide;2-bromo-4-butan-2-yl-1-propan-2-ylbenzene?
4-bromo-2-butan-2-yl-N,N-dimethyl-5-propan-2-ylbenzenesulfonamide;2-bromo-4-butan-2-yl-1-propan-2-ylbenzene has a molecular weight of 617.53 g/mol, XLogP of 9.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-butan-2-yl-N,N-dimethyl-5-propan-2-ylbenzenesulfonamide;2-bromo-4-butan-2-yl-1-propan-2-ylbenzene is sourced from PubChem (CID 163667057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).