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

C11H16N4O5S — CID 62147494

IUPACN-[2-[[2-(methylamino)-4-nitrophenyl]sulfonylamino]ethyl]acetamide
SMILESCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCNC(C)=O
InChIInChI=1S/C11H16N4O5S/c1-8(16)13-5-6-14-21(19,20)11-4-3-9(15(17)18)7-10(11)12-2/h3-4,7,12,14H,5-6H2,1-2H3,(H,13,16)
InChIKeyFIRDMKWYNNVIDW-UHFFFAOYSA-N
MW316.34 g/mol
LogP0.05
Rot. Bonds7

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

N-[2-[[2-(methylamino)-4-nitrophenyl]sulfonylamino]ethyl]acetamide (PubChem CID 62147494) has the molecular formula C11H16N4O5S and a molecular weight of 316.34 g/mol. Its IUPAC name is N-[2-[[2-(methylamino)-4-nitrophenyl]sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-(methylamino)-4-nitrophenyl]sulfonylamino]ethyl]acetamide
PubChem CID62147494
Molecular FormulaC11H16N4O5S
Molecular Weight316.34 g/mol
Exact Mass316.08
IUPAC NameN-[2-[[2-(methylamino)-4-nitrophenyl]sulfonylamino]ethyl]acetamide
SMILESCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCNC(C)=O
InChIInChI=1S/C11H16N4O5S/c1-8(16)13-5-6-14-21(19,20)11-4-3-9(15(17)18)7-10(11)12-2/h3-4,7,12,14H,5-6H2,1-2H3,(H,13,16)
InChIKeyFIRDMKWYNNVIDW-UHFFFAOYSA-N
XLogP0.05
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-N-(3-methylsulfanylpropyl)-4-nitrobenzenesulfonamide
CID 63962710
N-(4-methoxybutyl)-2-(methylamino)-4-nitrobenzenesulfonamide
CID 62158579
N-[2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]ethyl]acetamide
CID 62147495
N-[2-[[2-(methylamino)phenyl]sulfonylamino]ethyl]acetamide
CID 55043683
4-nitro-N-propyl-2-(propylamino)benzenesulfonamide
CID 62148948
2-(methylamino)-4-nitrobenzenesulfonamide
CID 62144576
N-(1-methoxypropan-2-yl)-2-(methylamino)-4-nitrobenzenesulfonamide
CID 62163370
2-methyl-N-[2-(methylamino)ethyl]-4-nitrobenzenesulfonamide;hydrochloride
CID 119973287
N-[2-[(2,4-dichloro-5-nitrophenyl)sulfonylamino]ethyl]acetamide
CID 100613309
2-(methylamino)-5-nitro-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 63227659
N-[2-[(2-chloro-4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 32675868
N-[2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]ethyl]acetamide
CID 43398029

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(methylamino)-4-nitrophenyl]sulfonylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[2-(methylamino)-4-nitrophenyl]sulfonylamino]ethyl]acetamide (CID 62147494) is N-[2-[[2-(methylamino)-4-nitrophenyl]sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[2-(methylamino)-4-nitrophenyl]sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[2-(methylamino)-4-nitrophenyl]sulfonylamino]ethyl]acetamide is CNc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCNC(C)=O.
What is the InChIKey of N-[2-[[2-(methylamino)-4-nitrophenyl]sulfonylamino]ethyl]acetamide?
The InChIKey is FIRDMKWYNNVIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5S/c1-8(16)13-5-6-14-21(19,20)11-4-3-9(15(17)18)7-10(11)12-2/h3-4,7,12,14H,5-6H2,1-2H3,(H,13,16).
What are the key properties of N-[2-[[2-(methylamino)-4-nitrophenyl]sulfonylamino]ethyl]acetamide?
N-[2-[[2-(methylamino)-4-nitrophenyl]sulfonylamino]ethyl]acetamide has a molecular weight of 316.34 g/mol, XLogP of 0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(methylamino)-4-nitrophenyl]sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 62147494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).