N-(4-bromophenyl)sulfonyl-3-methylbutanamide

C11H14BrNO3S — CID 47108774

IUPACN-(4-bromophenyl)sulfonyl-3-methylbutanamide
SMILESCC(C)CC(=O)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO3S/c1-8(2)7-11(14)13-17(15,16)10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyYHMHTNHUCODKGY-UHFFFAOYSA-N
MW320.21 g/mol
LogP2.30
Rot. Bonds4

About N-(4-bromophenyl)sulfonyl-3-methylbutanamide

N-(4-bromophenyl)sulfonyl-3-methylbutanamide (PubChem CID 47108774) has the molecular formula C11H14BrNO3S and a molecular weight of 320.21 g/mol. Its IUPAC name is N-(4-bromophenyl)sulfonyl-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)sulfonyl-3-methylbutanamide
PubChem CID47108774
Molecular FormulaC11H14BrNO3S
Molecular Weight320.21 g/mol
Exact Mass318.99
IUPAC NameN-(4-bromophenyl)sulfonyl-3-methylbutanamide
SMILESCC(C)CC(=O)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO3S/c1-8(2)7-11(14)13-17(15,16)10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyYHMHTNHUCODKGY-UHFFFAOYSA-N
XLogP2.30
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(4-bromophenyl)sulfonyl-3-methylbutanehydrazide
CID 26951710
N-[4-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]phenyl]-3-methylbutanamide
CID 33033362
N-(3,4-dimethoxyphenyl)sulfonyl-3-methylbutanamide
CID 47115056
N-(4-bromophenyl)sulfonyl-2-cyanoacetamide
CID 3848707
N-[4-(3-methylbutanoylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 1116699
2-[(4-bromophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 112990736
N-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)acetamide
CID 56659875
N-(benzenesulfonyl)-2-(4-bromophenyl)acetamide
CID 47108713
4-bromo-N-(3-methyl-2-oxobutyl)benzenesulfonamide
CID 64996479
N-[4-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]phenyl]-3-methylbutanamide
CID 38950843
4-bromo-N-(3-methylbutyl)benzenesulfonamide
CID 669771
N-(benzenesulfonyl)-4-methylpentanamide
CID 47108729

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)sulfonyl-3-methylbutanamide?
The IUPAC name of N-(4-bromophenyl)sulfonyl-3-methylbutanamide (CID 47108774) is N-(4-bromophenyl)sulfonyl-3-methylbutanamide.
What is the SMILES notation for N-(4-bromophenyl)sulfonyl-3-methylbutanamide?
The canonical SMILES for N-(4-bromophenyl)sulfonyl-3-methylbutanamide is CC(C)CC(=O)NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)sulfonyl-3-methylbutanamide?
The InChIKey is YHMHTNHUCODKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3S/c1-8(2)7-11(14)13-17(15,16)10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3,(H,13,14).
What are the key properties of N-(4-bromophenyl)sulfonyl-3-methylbutanamide?
N-(4-bromophenyl)sulfonyl-3-methylbutanamide has a molecular weight of 320.21 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)sulfonyl-3-methylbutanamide is sourced from PubChem (CID 47108774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).