N-methyl-2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetamide

C10H14N4O5S — CID 60630712

IUPACN-methyl-2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetamide
SMILESCNC(=O)CNS(=O)(=O)c1ccc(NC)c([N+](=O)[O-])c1
InChIInChI=1S/C10H14N4O5S/c1-11-8-4-3-7(5-9(8)14(16)17)20(18,19)13-6-10(15)12-2/h3-5,11,13H,6H2,1-2H3,(H,12,15)
InChIKeyWQQYPAPZZUEPIN-UHFFFAOYSA-N
MW302.31 g/mol
LogP-0.34
Rot. Bonds6

About N-methyl-2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetamide

N-methyl-2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetamide (PubChem CID 60630712) has the molecular formula C10H14N4O5S and a molecular weight of 302.31 g/mol. Its IUPAC name is N-methyl-2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetamide
PubChem CID60630712
Molecular FormulaC10H14N4O5S
Molecular Weight302.31 g/mol
Exact Mass302.07
IUPAC NameN-methyl-2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetamide
SMILESCNC(=O)CNS(=O)(=O)c1ccc(NC)c([N+](=O)[O-])c1
InChIInChI=1S/C10H14N4O5S/c1-11-8-4-3-7(5-9(8)14(16)17)20(18,19)13-6-10(15)12-2/h3-5,11,13H,6H2,1-2H3,(H,12,15)
InChIKeyWQQYPAPZZUEPIN-UHFFFAOYSA-N
XLogP-0.34
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-(methylamino)-3-nitrobenzenesulfonamide
CID 62150216
N-[2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]ethyl]acetamide
CID 62147495
4-(methylamino)-3-nitro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 62148898
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate
CID 4847619
4-(methylamino)-N-(2-methylsulfanylethyl)-3-nitrobenzenesulfonamide
CID 63961223
4-(methylamino)-N-(4-methylpentyl)-3-nitrobenzenesulfonamide
CID 63002612
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate
CID 55309127
N-[2-[ethyl(methyl)amino]ethyl]-4-(methylamino)-3-nitrobenzenesulfonamide
CID 62640031
[2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate
CID 30995341
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate
CID 55309148
2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43400349
N-benzyl-2-[[3-nitro-4-(propan-2-ylamino)phenyl]sulfonylamino]acetamide
CID 9011238

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetamide?
The IUPAC name of N-methyl-2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetamide (CID 60630712) is N-methyl-2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-methyl-2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetamide?
The canonical SMILES for N-methyl-2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetamide is CNC(=O)CNS(=O)(=O)c1ccc(NC)c([N+](=O)[O-])c1.
What is the InChIKey of N-methyl-2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetamide?
The InChIKey is WQQYPAPZZUEPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O5S/c1-11-8-4-3-7(5-9(8)14(16)17)20(18,19)13-6-10(15)12-2/h3-5,11,13H,6H2,1-2H3,(H,12,15).
What are the key properties of N-methyl-2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetamide?
N-methyl-2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetamide has a molecular weight of 302.31 g/mol, XLogP of -0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetamide is sourced from PubChem (CID 60630712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).