N-(4-bromophenyl)-2-(butylsulfonylamino)acetamide

C12H17BrN2O3S — CID 112998471

IUPACN-(4-bromophenyl)-2-(butylsulfonylamino)acetamide
SMILESCCCCS(=O)(=O)NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O3S/c1-2-3-8-19(17,18)14-9-12(16)15-11-6-4-10(13)5-7-11/h4-7,14H,2-3,8-9H2,1H3,(H,15,16)
InChIKeyIJNKDRFVUQLLRC-UHFFFAOYSA-N
MW349.25 g/mol
LogP2.11
Rot. Bonds7

About N-(4-bromophenyl)-2-(butylsulfonylamino)acetamide

N-(4-bromophenyl)-2-(butylsulfonylamino)acetamide (PubChem CID 112998471) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(butylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(butylsulfonylamino)acetamide
PubChem CID112998471
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC NameN-(4-bromophenyl)-2-(butylsulfonylamino)acetamide
SMILESCCCCS(=O)(=O)NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O3S/c1-2-3-8-19(17,18)14-9-12(16)15-11-6-4-10(13)5-7-11/h4-7,14H,2-3,8-9H2,1H3,(H,15,16)
InChIKeyIJNKDRFVUQLLRC-UHFFFAOYSA-N
XLogP2.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butylsulfonylamino)-N-(3,4-difluorophenyl)acetamide
CID 47070120
N-[4-(diethylamino)phenyl]-2-(propylsulfonylamino)acetamide
CID 113000142
2-[(4-bromophenyl)methylsulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 22299884
N-[4-(butylsulfonylamino)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119800492
N-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide
CID 1316272
N-(4-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 112998475
2-[(4-bromophenyl)methylsulfonylamino]-N-(3,5-dimethylphenyl)acetamide
CID 22300057
2-(butylsulfonylamino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110370271
N-(4-bromophenyl)-2-(2-butoxyethylamino)acetamide
CID 61171662
N-[4-(butylsulfonylamino)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119800501
N-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)acetamide
CID 83014365
2-(butylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide
CID 112999249

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(butylsulfonylamino)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(butylsulfonylamino)acetamide (CID 112998471) is N-(4-bromophenyl)-2-(butylsulfonylamino)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(butylsulfonylamino)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(butylsulfonylamino)acetamide is CCCCS(=O)(=O)NCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(butylsulfonylamino)acetamide?
The InChIKey is IJNKDRFVUQLLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c1-2-3-8-19(17,18)14-9-12(16)15-11-6-4-10(13)5-7-11/h4-7,14H,2-3,8-9H2,1H3,(H,15,16).
What are the key properties of N-(4-bromophenyl)-2-(butylsulfonylamino)acetamide?
N-(4-bromophenyl)-2-(butylsulfonylamino)acetamide has a molecular weight of 349.25 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(butylsulfonylamino)acetamide is sourced from PubChem (CID 112998471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).