2-(2-amino-5-chlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)acetamide

C13H19ClN2O3S — CID 81180693

IUPAC2-(2-amino-5-chlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CS(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C13H19ClN2O3S/c1-8(2)9(3)16-13(17)7-20(18,19)12-6-10(14)4-5-11(12)15/h4-6,8-9H,7,15H2,1-3H3,(H,16,17)
InChIKeyZSXSVNGYUHJVLY-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.86
Rot. Bonds5

About 2-(2-amino-5-chlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)acetamide

2-(2-amino-5-chlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)acetamide (PubChem CID 81180693) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 2-(2-amino-5-chlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-amino-5-chlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)acetamide
PubChem CID81180693
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name2-(2-amino-5-chlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CS(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C13H19ClN2O3S/c1-8(2)9(3)16-13(17)7-20(18,19)12-6-10(14)4-5-11(12)15/h4-6,8-9H,7,15H2,1-3H3,(H,16,17)
InChIKeyZSXSVNGYUHJVLY-UHFFFAOYSA-N
XLogP1.86
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide
CID 81175101
2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 81175710
2-(2-amino-5-methylphenyl)sulfonyl-N-pentan-2-ylacetamide
CID 81183653
4-chloro-2-(2-propan-2-ylsulfanylethylsulfonyl)aniline
CID 114268933
2-(2-amino-5-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone
CID 81180590
2-(2-amino-5-chlorophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide
CID 81179982
2-amino-5-chloro-N-propan-2-ylbenzenesulfonamide
CID 60985820
2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 94223668
2-(5-amino-2-chlorophenyl)sulfonyl-N-pentan-3-ylacetamide
CID 81202646
2-amino-5-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 107150851
2-amino-5-chloro-N-(2-cyclopropylpropyl)benzenesulfonamide
CID 113474885
2-(2-amino-5-fluorophenyl)sulfonyl-N-methylacetamide
CID 81182916

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-amino-5-chlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)acetamide (CID 81180693) is 2-(2-amino-5-chlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-amino-5-chlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-amino-5-chlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CS(=O)(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 2-(2-amino-5-chlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is ZSXSVNGYUHJVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-8(2)9(3)16-13(17)7-20(18,19)12-6-10(14)4-5-11(12)15/h4-6,8-9H,7,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-amino-5-chlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)acetamide?
2-(2-amino-5-chlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 318.83 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-chlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 81180693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).