N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfonylacetamide

C12H17ClN2O3S — CID 119630251

IUPACN-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfonylacetamide
SMILESCC(C)(N)CNC(=O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O3S/c1-12(2,14)8-15-11(16)7-19(17,18)10-5-3-9(13)4-6-10/h3-6H,7-8,14H2,1-2H3,(H,15,16)
InChIKeyFTXUEQMLGBGLNE-UHFFFAOYSA-N
MW304.80 g/mol
LogP0.97
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfonylacetamide

N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfonylacetamide (PubChem CID 119630251) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfonylacetamide
PubChem CID119630251
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC NameN-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfonylacetamide
SMILESCC(C)(N)CNC(=O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O3S/c1-12(2,14)8-15-11(16)7-19(17,18)10-5-3-9(13)4-6-10/h3-6H,7-8,14H2,1-2H3,(H,15,16)
InChIKeyFTXUEQMLGBGLNE-UHFFFAOYSA-N
XLogP0.97
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)sulfonyl-N-propylacetamide
CID 24654499
N-(3-aminopropyl)-2-(4-chlorophenyl)sulfonylacetamide;hydrochloride
CID 119408635
2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]-2-methylbutanoic acid
CID 119199618
N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 2765509
N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 119629074
2-(4-aminophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide
CID 61492492
N-(2-aminoethyl)-2-(4-methylphenyl)sulfonylacetamide
CID 64697569
N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119629073
N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119628554
2-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]acetamide
CID 34381808
2-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)acetamide
CID 24655866
N-(2-amino-2-methylpropyl)-4-chlorobenzenesulfonamide;hydrochloride
CID 119988011

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfonylacetamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfonylacetamide (CID 119630251) is N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfonylacetamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfonylacetamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfonylacetamide is CC(C)(N)CNC(=O)CS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfonylacetamide?
The InChIKey is FTXUEQMLGBGLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-12(2,14)8-15-11(16)7-19(17,18)10-5-3-9(13)4-6-10/h3-6H,7-8,14H2,1-2H3,(H,15,16).
What are the key properties of N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfonylacetamide?
N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfonylacetamide has a molecular weight of 304.80 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfonylacetamide is sourced from PubChem (CID 119630251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).