2-(2-chloro-N-methylsulfonyl-5-nitroanilino)acetamide

C9H10ClN3O5S — CID 50893899

IUPAC2-(2-chloro-N-methylsulfonyl-5-nitroanilino)acetamide
SMILESCS(=O)(=O)N(CC(N)=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C9H10ClN3O5S/c1-19(17,18)12(5-9(11)14)8-4-6(13(15)16)2-3-7(8)10/h2-4H,5H2,1H3,(H2,11,14)
InChIKeyHGQHRVSCWFJOIK-UHFFFAOYSA-N
MW307.72 g/mol
LogP0.50
Rot. Bonds5

About 2-(2-chloro-N-methylsulfonyl-5-nitroanilino)acetamide

2-(2-chloro-N-methylsulfonyl-5-nitroanilino)acetamide (PubChem CID 50893899) has the molecular formula C9H10ClN3O5S and a molecular weight of 307.72 g/mol. Its IUPAC name is 2-(2-chloro-N-methylsulfonyl-5-nitroanilino)acetamide.

Molecular Properties

Compound Name2-(2-chloro-N-methylsulfonyl-5-nitroanilino)acetamide
PubChem CID50893899
Molecular FormulaC9H10ClN3O5S
Molecular Weight307.72 g/mol
Exact Mass307.00
IUPAC Name2-(2-chloro-N-methylsulfonyl-5-nitroanilino)acetamide
SMILESCS(=O)(=O)N(CC(N)=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C9H10ClN3O5S/c1-19(17,18)12(5-9(11)14)8-4-6(13(15)16)2-3-7(8)10/h2-4H,5H2,1H3,(H2,11,14)
InChIKeyHGQHRVSCWFJOIK-UHFFFAOYSA-N
XLogP0.50
TPSA123.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.72
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-(2-chloro-N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide
CID 1310728
N,N-bis(2-amino-2-oxoethyl)-2-chloro-5-nitrobenzamide
CID 62923761
2-(4-bromo-2-chloro-N-methylsulfonylanilino)acetamide
CID 50893257
N-(2-chloro-5-nitrophenyl)-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50894131
2-(N-(4-acetamidophenyl)sulfonyl-2-chloro-5-nitroanilino)acetic acid
CID 50889737
methyl 2-(2-chloro-N-(4-fluorophenyl)sulfonyl-5-nitroanilino)acetate
CID 50894037
ethyl 2-(2-chloro-5-nitro-N-(2-nitrophenyl)sulfonylanilino)acetate
CID 50894192
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(2-methoxy-5-nitrophenyl)acetamide
CID 1319525
N-(2-chloro-4-nitrophenyl)-N-[2-(dimethylamino)ethyl]methanesulfonamide
CID 23506828
2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-propan-2-ylacetamide
CID 19061940
2-[[2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetyl]amino]benzamide
CID 53282470
3-(2-chloro-N-(2,5-dichlorophenyl)sulfonyl-5-nitroanilino)propanoic acid
CID 50894227

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-N-methylsulfonyl-5-nitroanilino)acetamide?
The IUPAC name of 2-(2-chloro-N-methylsulfonyl-5-nitroanilino)acetamide (CID 50893899) is 2-(2-chloro-N-methylsulfonyl-5-nitroanilino)acetamide.
What is the SMILES notation for 2-(2-chloro-N-methylsulfonyl-5-nitroanilino)acetamide?
The canonical SMILES for 2-(2-chloro-N-methylsulfonyl-5-nitroanilino)acetamide is CS(=O)(=O)N(CC(N)=O)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-(2-chloro-N-methylsulfonyl-5-nitroanilino)acetamide?
The InChIKey is HGQHRVSCWFJOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O5S/c1-19(17,18)12(5-9(11)14)8-4-6(13(15)16)2-3-7(8)10/h2-4H,5H2,1H3,(H2,11,14).
What are the key properties of 2-(2-chloro-N-methylsulfonyl-5-nitroanilino)acetamide?
2-(2-chloro-N-methylsulfonyl-5-nitroanilino)acetamide has a molecular weight of 307.72 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-N-methylsulfonyl-5-nitroanilino)acetamide is sourced from PubChem (CID 50893899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).