2-[(3-amino-5-chloro-2-methylphenyl)sulfonyl-methylamino]acetamide

C10H14ClN3O3S — CID 114378855

IUPAC2-[(3-amino-5-chloro-2-methylphenyl)sulfonyl-methylamino]acetamide
SMILESCc1c(N)cc(Cl)cc1S(=O)(=O)N(C)CC(N)=O
InChIInChI=1S/C10H14ClN3O3S/c1-6-8(12)3-7(11)4-9(6)18(16,17)14(2)5-10(13)15/h3-4H,5,12H2,1-2H3,(H2,13,15)
InChIKeyKWCLOYDITFUWBS-UHFFFAOYSA-N
MW291.76 g/mol
LogP0.34
Rot. Bonds4

About 2-[(3-amino-5-chloro-2-methylphenyl)sulfonyl-methylamino]acetamide

2-[(3-amino-5-chloro-2-methylphenyl)sulfonyl-methylamino]acetamide (PubChem CID 114378855) has the molecular formula C10H14ClN3O3S and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-[(3-amino-5-chloro-2-methylphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[(3-amino-5-chloro-2-methylphenyl)sulfonyl-methylamino]acetamide
PubChem CID114378855
Molecular FormulaC10H14ClN3O3S
Molecular Weight291.76 g/mol
Exact Mass291.04
IUPAC Name2-[(3-amino-5-chloro-2-methylphenyl)sulfonyl-methylamino]acetamide
SMILESCc1c(N)cc(Cl)cc1S(=O)(=O)N(C)CC(N)=O
InChIInChI=1S/C10H14ClN3O3S/c1-6-8(12)3-7(11)4-9(6)18(16,17)14(2)5-10(13)15/h3-4H,5,12H2,1-2H3,(H2,13,15)
InChIKeyKWCLOYDITFUWBS-UHFFFAOYSA-N
XLogP0.34
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 50.34
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

ethyl 2-[(3-amino-5-chloro-2-methylphenyl)sulfonyl-methylamino]acetate
CID 114379371
2-[(3-amino-5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 114379201
2-[(3-amino-2-bromo-5-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 62955656
3-amino-5-chloro-N-cyclobutyl-N,2-dimethylbenzenesulfonamide
CID 114380287
2-[(3-amino-2,4-difluorophenyl)sulfonyl-methylamino]acetamide
CID 107343162
3-amino-5-chloro-N-(2-hydroxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 114378967
3-amino-5-chloro-N,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 114380323
3-amino-4-[(2-amino-2-oxoethyl)-methylsulfamoyl]benzoic acid
CID 81471119
methyl 2-[(3-amino-5-bromo-2-methylphenyl)sulfonyl-methylamino]acetate
CID 114378745
3-amino-5-chloro-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide
CID 102631244
3-[2-[(3-amino-5-chloro-2-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 114380073
3-amino-5-chloro-N-ethyl-N-(2-ethylbutyl)-2-methylbenzenesulfonamide
CID 114378979

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-5-chloro-2-methylphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of 2-[(3-amino-5-chloro-2-methylphenyl)sulfonyl-methylamino]acetamide (CID 114378855) is 2-[(3-amino-5-chloro-2-methylphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for 2-[(3-amino-5-chloro-2-methylphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for 2-[(3-amino-5-chloro-2-methylphenyl)sulfonyl-methylamino]acetamide is Cc1c(N)cc(Cl)cc1S(=O)(=O)N(C)CC(N)=O.
What is the InChIKey of 2-[(3-amino-5-chloro-2-methylphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is KWCLOYDITFUWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3S/c1-6-8(12)3-7(11)4-9(6)18(16,17)14(2)5-10(13)15/h3-4H,5,12H2,1-2H3,(H2,13,15).
What are the key properties of 2-[(3-amino-5-chloro-2-methylphenyl)sulfonyl-methylamino]acetamide?
2-[(3-amino-5-chloro-2-methylphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 291.76 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-5-chloro-2-methylphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 114378855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).