2-chloro-N-[5-(methanesulfonamido)-2-nitro-4-phenoxyphenyl]acetamide

C15H14ClN3O6S — CID 15285981

IUPAC2-chloro-N-[5-(methanesulfonamido)-2-nitro-4-phenoxyphenyl]acetamide
SMILESCS(=O)(=O)Nc1cc(NC(=O)CCl)c([N+](=O)[O-])cc1Oc1ccccc1
InChIInChI=1S/C15H14ClN3O6S/c1-26(23,24)18-12-7-11(17-15(20)9-16)13(19(21)22)8-14(12)25-10-5-3-2-4-6-10/h2-8,18H,9H2,1H3,(H,17,20)
InChIKeyDEUNWRWEUOZVLU-UHFFFAOYSA-N
MW399.81 g/mol
LogP2.94
Rot. Bonds7

About 2-chloro-N-[5-(methanesulfonamido)-2-nitro-4-phenoxyphenyl]acetamide

2-chloro-N-[5-(methanesulfonamido)-2-nitro-4-phenoxyphenyl]acetamide (PubChem CID 15285981) has the molecular formula C15H14ClN3O6S and a molecular weight of 399.81 g/mol. Its IUPAC name is 2-chloro-N-[5-(methanesulfonamido)-2-nitro-4-phenoxyphenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[5-(methanesulfonamido)-2-nitro-4-phenoxyphenyl]acetamide
PubChem CID15285981
Molecular FormulaC15H14ClN3O6S
Molecular Weight399.81 g/mol
Exact Mass399.03
IUPAC Name2-chloro-N-[5-(methanesulfonamido)-2-nitro-4-phenoxyphenyl]acetamide
SMILESCS(=O)(=O)Nc1cc(NC(=O)CCl)c([N+](=O)[O-])cc1Oc1ccccc1
InChIInChI=1S/C15H14ClN3O6S/c1-26(23,24)18-12-7-11(17-15(20)9-16)13(19(21)22)8-14(12)25-10-5-3-2-4-6-10/h2-8,18H,9H2,1H3,(H,17,20)
InChIKeyDEUNWRWEUOZVLU-UHFFFAOYSA-N
XLogP2.94
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.81
LogP ≤ 52.94
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-[4-(2-chlorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide
CID 22406118
methyl 6-[5-(methanesulfonamido)-2-nitro-4-phenoxyanilino]-6-oxohexanoate
CID 139618763
N'-[5-(methanesulfonamido)-2-nitro-4-phenoxyphenyl]-N-pentyloxamide
CID 139635856
2-chloro-N-[3-(methanesulfonamido)-4-phenoxyphenyl]acetamide
CID 15285980
N-[4-(2-fluorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide
CID 139622066
potassium N-(4-nitro-2-phenoxyphenyl)methanesulfonamide
CID 23696305
N-[4-cyclohexyloxy-5-(methanesulfonamido)-2-nitrophenyl]butanamide
CID 15233441
2-acetyloxybenzoic acid;N-(4-nitro-2-phenoxyphenyl)methanesulfonamide
CID 11329271
2-chloro-N-(4,5-difluoro-2-nitrophenyl)acetamide
CID 83309276
N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-(2-nitrophenyl)acetamide
CID 42996302
N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-phenoxybenzamide
CID 41283983
[2-(4-methyl-2-nitroanilino)-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 41432212

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(methanesulfonamido)-2-nitro-4-phenoxyphenyl]acetamide?
The IUPAC name of 2-chloro-N-[5-(methanesulfonamido)-2-nitro-4-phenoxyphenyl]acetamide (CID 15285981) is 2-chloro-N-[5-(methanesulfonamido)-2-nitro-4-phenoxyphenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[5-(methanesulfonamido)-2-nitro-4-phenoxyphenyl]acetamide?
The canonical SMILES for 2-chloro-N-[5-(methanesulfonamido)-2-nitro-4-phenoxyphenyl]acetamide is CS(=O)(=O)Nc1cc(NC(=O)CCl)c([N+](=O)[O-])cc1Oc1ccccc1.
What is the InChIKey of 2-chloro-N-[5-(methanesulfonamido)-2-nitro-4-phenoxyphenyl]acetamide?
The InChIKey is DEUNWRWEUOZVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O6S/c1-26(23,24)18-12-7-11(17-15(20)9-16)13(19(21)22)8-14(12)25-10-5-3-2-4-6-10/h2-8,18H,9H2,1H3,(H,17,20).
What are the key properties of 2-chloro-N-[5-(methanesulfonamido)-2-nitro-4-phenoxyphenyl]acetamide?
2-chloro-N-[5-(methanesulfonamido)-2-nitro-4-phenoxyphenyl]acetamide has a molecular weight of 399.81 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(methanesulfonamido)-2-nitro-4-phenoxyphenyl]acetamide is sourced from PubChem (CID 15285981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).