N-[2-[(2,4-dichloro-5-nitrophenyl)sulfonylamino]ethyl]acetamide

C10H11Cl2N3O5S — CID 100613309

IUPACN-[2-[(2,4-dichloro-5-nitrophenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2N3O5S/c1-6(16)13-2-3-14-21(19,20)10-5-9(15(17)18)7(11)4-8(10)12/h4-5,14H,2-3H2,1H3,(H,13,16)
InChIKeyXEUWCKMQSFVMKC-UHFFFAOYSA-N
MW356.19 g/mol
LogP1.32
Rot. Bonds6

About N-[2-[(2,4-dichloro-5-nitrophenyl)sulfonylamino]ethyl]acetamide

N-[2-[(2,4-dichloro-5-nitrophenyl)sulfonylamino]ethyl]acetamide (PubChem CID 100613309) has the molecular formula C10H11Cl2N3O5S and a molecular weight of 356.19 g/mol. Its IUPAC name is N-[2-[(2,4-dichloro-5-nitrophenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2,4-dichloro-5-nitrophenyl)sulfonylamino]ethyl]acetamide
PubChem CID100613309
Molecular FormulaC10H11Cl2N3O5S
Molecular Weight356.19 g/mol
Exact Mass354.98
IUPAC NameN-[2-[(2,4-dichloro-5-nitrophenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2N3O5S/c1-6(16)13-2-3-14-21(19,20)10-5-9(15(17)18)7(11)4-8(10)12/h4-5,14H,2-3H2,1H3,(H,13,16)
InChIKeyXEUWCKMQSFVMKC-UHFFFAOYSA-N
XLogP1.32
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.19
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[2-[(2-chloro-4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 32675868
N-[2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]ethyl]acetamide
CID 43398029
N-[2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]ethyl]acetamide
CID 62147495
N-[2-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]ethyl]acetamide
CID 80730943
N-[2-[[2-(methylamino)-4-nitrophenyl]sulfonylamino]ethyl]acetamide
CID 62147494
N-(2-acetamidoethyl)-3-chloro-4-nitrobenzamide
CID 82781778
N-[2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]ethyl]acetamide
CID 3824070
4-chloro-N-hexyl-2-methyl-5-nitrobenzenesulfonamide
CID 81041576
4-chloro-2-methyl-5-nitro-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 115741692
N-[2-[(3-chloro-2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 39621833
4-chloro-2-methyl-5-nitro-N-pent-4-ynylbenzenesulfonamide
CID 103816255
ethyl 2-[(4-chloro-2-methyl-5-nitrophenyl)sulfonylamino]acetate
CID 80719162

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dichloro-5-nitrophenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(2,4-dichloro-5-nitrophenyl)sulfonylamino]ethyl]acetamide (CID 100613309) is N-[2-[(2,4-dichloro-5-nitrophenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2,4-dichloro-5-nitrophenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(2,4-dichloro-5-nitrophenyl)sulfonylamino]ethyl]acetamide is CC(=O)NCCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl.
What is the InChIKey of N-[2-[(2,4-dichloro-5-nitrophenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is XEUWCKMQSFVMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O5S/c1-6(16)13-2-3-14-21(19,20)10-5-9(15(17)18)7(11)4-8(10)12/h4-5,14H,2-3H2,1H3,(H,13,16).
What are the key properties of N-[2-[(2,4-dichloro-5-nitrophenyl)sulfonylamino]ethyl]acetamide?
N-[2-[(2,4-dichloro-5-nitrophenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 356.19 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dichloro-5-nitrophenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 100613309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).