2-chloro-N-[4-(2-chlorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide

C15H13Cl2N3O6S — CID 22406118

IUPAC2-chloro-N-[4-(2-chlorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide
SMILESCS(=O)(=O)Nc1cc(NC(=O)CCl)c([N+](=O)[O-])cc1Oc1ccccc1Cl
InChIInChI=1S/C15H13Cl2N3O6S/c1-27(24,25)19-11-6-10(18-15(21)8-16)12(20(22)23)7-14(11)26-13-5-3-2-4-9(13)17/h2-7,19H,8H2,1H3,(H,18,21)
InChIKeyNAEZCGGKIFKOBX-UHFFFAOYSA-N
MW434.26 g/mol
LogP3.59
Rot. Bonds7

About 2-chloro-N-[4-(2-chlorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide

2-chloro-N-[4-(2-chlorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide (PubChem CID 22406118) has the molecular formula C15H13Cl2N3O6S and a molecular weight of 434.26 g/mol. Its IUPAC name is 2-chloro-N-[4-(2-chlorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(2-chlorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide
PubChem CID22406118
Molecular FormulaC15H13Cl2N3O6S
Molecular Weight434.26 g/mol
Exact Mass432.99
IUPAC Name2-chloro-N-[4-(2-chlorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide
SMILESCS(=O)(=O)Nc1cc(NC(=O)CCl)c([N+](=O)[O-])cc1Oc1ccccc1Cl
InChIInChI=1S/C15H13Cl2N3O6S/c1-27(24,25)19-11-6-10(18-15(21)8-16)12(20(22)23)7-14(11)26-13-5-3-2-4-9(13)17/h2-7,19H,8H2,1H3,(H,18,21)
InChIKeyNAEZCGGKIFKOBX-UHFFFAOYSA-N
XLogP3.59
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.26
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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-chloro-N-[5-(methanesulfonamido)-2-nitro-4-phenoxyphenyl]acetamide
CID 15285981
N-[4-(2-fluorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide
CID 139622066
methyl 6-[5-(methanesulfonamido)-2-nitro-4-phenoxyanilino]-6-oxohexanoate
CID 139618763
N-[4-(2-chlorophenoxy)-5-fluoro-2-nitrophenyl]acetamide
CID 139715511
N'-[5-(methanesulfonamido)-2-nitro-4-phenoxyphenyl]-N-pentyloxamide
CID 139635856
N-[4-cyclohexyloxy-5-(methanesulfonamido)-2-nitrophenyl]butanamide
CID 15233441
N-[4-chloro-5-(2,3-dichlorophenoxy)-2-nitrophenyl]-2-cyanoacetamide
CID 168521801
2-(2-chlorophenoxy)-N-(2-nitrophenyl)acetamide
CID 2903228
2-chloro-N-[3-(methanesulfonamido)-4-phenoxyphenyl]acetamide
CID 15285980
2-chloro-N-(4,5-difluoro-2-nitrophenyl)acetamide
CID 83309276
1-[4-(2-chlorophenoxy)-3-nitrophenyl]ethanone
CID 9212979
[2-(4-methyl-2-nitroanilino)-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 41432212

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(2-chlorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-(2-chlorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide (CID 22406118) is 2-chloro-N-[4-(2-chlorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-(2-chlorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-(2-chlorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide is CS(=O)(=O)Nc1cc(NC(=O)CCl)c([N+](=O)[O-])cc1Oc1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-(2-chlorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide?
The InChIKey is NAEZCGGKIFKOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O6S/c1-27(24,25)19-11-6-10(18-15(21)8-16)12(20(22)23)7-14(11)26-13-5-3-2-4-9(13)17/h2-7,19H,8H2,1H3,(H,18,21).
What are the key properties of 2-chloro-N-[4-(2-chlorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide?
2-chloro-N-[4-(2-chlorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide has a molecular weight of 434.26 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(2-chlorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide is sourced from PubChem (CID 22406118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).