2-[(4-bromophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide

C12H17BrN2O3S — CID 112990736

IUPAC2-[(4-bromophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O3S/c1-9(2)7-14-12(16)8-15-19(17,18)11-5-3-10(13)4-6-11/h3-6,9,15H,7-8H2,1-2H3,(H,14,16)
InChIKeyRQIVMNBKXQADHG-UHFFFAOYSA-N
MW349.25 g/mol
LogP1.50
Rot. Bonds6

About 2-[(4-bromophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide

2-[(4-bromophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide (PubChem CID 112990736) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
PubChem CID112990736
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O3S/c1-9(2)7-14-12(16)8-15-19(17,18)11-5-3-10(13)4-6-11/h3-6,9,15H,7-8H2,1-2H3,(H,14,16)
InChIKeyRQIVMNBKXQADHG-UHFFFAOYSA-N
XLogP1.50
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methylpropyl)acetamide
CID 21156556
4-bromo-N-(3-methyl-2-oxobutyl)benzenesulfonamide
CID 64996479
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 49244592
2-[(4-bromophenyl)sulfonylamino]-N-pentylacetamide
CID 112995289
N-(2-methylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide
CID 112990740
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide
CID 27209258
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 49244513
N-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide
CID 1316272
methyl 2-[(4-bromophenyl)sulfonylamino]acetate
CID 669307
2-[(3-cyanophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 115569559
N-(4-bromophenyl)sulfonyl-3-methylbutanamide
CID 47108774
2-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 1316963

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide (CID 112990736) is 2-[(4-bromophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is RQIVMNBKXQADHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c1-9(2)7-14-12(16)8-15-19(17,18)11-5-3-10(13)4-6-11/h3-6,9,15H,7-8H2,1-2H3,(H,14,16).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide?
2-[(4-bromophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 349.25 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 112990736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).