2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide

C10H14ClN3O3S — CID 43374804

IUPAC2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C10H14ClN3O3S/c1-13-10(15)6-14(2)18(16,17)7-3-4-8(11)9(12)5-7/h3-5H,6,12H2,1-2H3,(H,13,15)
InChIKeySCECRDCCKYLVTH-UHFFFAOYSA-N
MW291.76 g/mol
LogP0.29
Rot. Bonds4

About 2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide

2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide (PubChem CID 43374804) has the molecular formula C10H14ClN3O3S and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide
PubChem CID43374804
Molecular FormulaC10H14ClN3O3S
Molecular Weight291.76 g/mol
Exact Mass291.04
IUPAC Name2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C10H14ClN3O3S/c1-13-10(15)6-14(2)18(16,17)7-3-4-8(11)9(12)5-7/h3-5H,6,12H2,1-2H3,(H,13,15)
InChIKeySCECRDCCKYLVTH-UHFFFAOYSA-N
XLogP0.29
TPSA92.50 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 ≤ 50.29
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-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 43374844
3-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 106914097
2-[(3-aminophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374811
3-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 43345894
2-[(3-amino-5-fluoro-4-methylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 116791482
3-amino-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 62058073
2-[(3-bromophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 9356234
3-amino-4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide
CID 105413736
2-[(3-amino-4-methylphenyl)sulfonyl-methylamino]-N-tert-butylacetamide
CID 61125788
2-[[6-(aminomethyl)-3-pyridinyl]sulfonyl-methylamino]-N-methylacetamide
CID 114613147
2-[2-amino-5-(dimethylsulfamoyl)-N-methylanilino]-N-methylacetamide
CID 82900151
2-[(3-bromo-4-chlorophenyl)sulfonyl-methylamino]-N-tert-butylacetamide
CID 106545297

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide (CID 43374804) is 2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide is CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide?
The InChIKey is SCECRDCCKYLVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3S/c1-13-10(15)6-14(2)18(16,17)7-3-4-8(11)9(12)5-7/h3-5H,6,12H2,1-2H3,(H,13,15).
What are the key properties of 2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide?
2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide has a molecular weight of 291.76 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 43374804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).