N-butan-2-yl-2-[(2-chlorophenyl)sulfonylamino]acetamide

C12H17ClN2O3S — CID 112990861

IUPACN-butan-2-yl-2-[(2-chlorophenyl)sulfonylamino]acetamide
SMILESCCC(C)NC(=O)CNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C12H17ClN2O3S/c1-3-9(2)15-12(16)8-14-19(17,18)11-7-5-4-6-10(11)13/h4-7,9,14H,3,8H2,1-2H3,(H,15,16)
InChIKeyDVCFLDIDBNIZSF-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.53
Rot. Bonds6

About N-butan-2-yl-2-[(2-chlorophenyl)sulfonylamino]acetamide

N-butan-2-yl-2-[(2-chlorophenyl)sulfonylamino]acetamide (PubChem CID 112990861) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is N-butan-2-yl-2-[(2-chlorophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(2-chlorophenyl)sulfonylamino]acetamide
PubChem CID112990861
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC NameN-butan-2-yl-2-[(2-chlorophenyl)sulfonylamino]acetamide
SMILESCCC(C)NC(=O)CNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C12H17ClN2O3S/c1-3-9(2)15-12(16)8-14-19(17,18)11-7-5-4-6-10(11)13/h4-7,9,14H,3,8H2,1-2H3,(H,15,16)
InChIKeyDVCFLDIDBNIZSF-UHFFFAOYSA-N
XLogP1.53
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]acetamide
CID 55884585
N-butan-2-yl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide
CID 112990855
2-[(2-chlorophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide
CID 26943189
N-[(4-chlorophenyl)methyl]-2-[(2-chlorophenyl)sulfonylamino]acetamide
CID 110285339
N-butan-2-yl-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112990843
2-chloro-N-[(2S)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832456
2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832457
(2-methylphenyl) 2-[(2-chlorophenyl)sulfonylamino]acetate
CID 110670356
N-butan-2-yl-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 113002892
N-butan-2-yl-2-(2-chlorophenyl)sulfanylacetamide
CID 60624641
2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 112993228
2-[(2-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 38254498

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(2-chlorophenyl)sulfonylamino]acetamide?
The IUPAC name of N-butan-2-yl-2-[(2-chlorophenyl)sulfonylamino]acetamide (CID 112990861) is N-butan-2-yl-2-[(2-chlorophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[(2-chlorophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[(2-chlorophenyl)sulfonylamino]acetamide is CCC(C)NC(=O)CNS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of N-butan-2-yl-2-[(2-chlorophenyl)sulfonylamino]acetamide?
The InChIKey is DVCFLDIDBNIZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-3-9(2)15-12(16)8-14-19(17,18)11-7-5-4-6-10(11)13/h4-7,9,14H,3,8H2,1-2H3,(H,15,16).
What are the key properties of N-butan-2-yl-2-[(2-chlorophenyl)sulfonylamino]acetamide?
N-butan-2-yl-2-[(2-chlorophenyl)sulfonylamino]acetamide has a molecular weight of 304.80 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(2-chlorophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 112990861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).