2-[(2,6-difluorophenyl)sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide

C16H16F2N4O5S — CID 9278743

IUPAC2-[(2,6-difluorophenyl)sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide
SMILESO=C(CNS(=O)(=O)c1c(F)cccc1F)NCCNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H16F2N4O5S/c17-11-4-3-5-12(18)16(11)28(26,27)21-10-15(23)20-9-8-19-13-6-1-2-7-14(13)22(24)25/h1-7,19,21H,8-10H2,(H,20,23)
InChIKeyAVZNZSOLIOHHHC-UHFFFAOYSA-N
MW414.39 g/mol
LogP1.38
Rot. Bonds9

About 2-[(2,6-difluorophenyl)sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide

2-[(2,6-difluorophenyl)sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide (PubChem CID 9278743) has the molecular formula C16H16F2N4O5S and a molecular weight of 414.39 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide
PubChem CID9278743
Molecular FormulaC16H16F2N4O5S
Molecular Weight414.39 g/mol
Exact Mass414.08
IUPAC Name2-[(2,6-difluorophenyl)sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide
SMILESO=C(CNS(=O)(=O)c1c(F)cccc1F)NCCNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H16F2N4O5S/c17-11-4-3-5-12(18)16(11)28(26,27)21-10-15(23)20-9-8-19-13-6-1-2-7-14(13)22(24)25/h1-7,19,21H,8-10H2,(H,20,23)
InChIKeyAVZNZSOLIOHHHC-UHFFFAOYSA-N
XLogP1.38
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 51.38
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-(2-fluorophenoxy)-N-[2-(2-nitroanilino)ethyl]acetamide
CID 40717592
3-amino-N-[2-(2-nitroanilino)ethyl]propanamide;hydrochloride
CID 119272735
N-(2-aminoethyl)-2-(2-nitroanilino)acetamide
CID 119384296
2,4-difluoro-N-[2-(2-nitroanilino)ethyl]benzamide
CID 46655559
2-(2-nitroanilino)-N-propylacetamide
CID 43398638
N-[2-(2-nitroanilino)ethyl]-3-phenylpropanamide
CID 9278055
1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-3-(2-nitroanilino)propan-1-one
CID 16622282
N-[2-(ethylamino)ethyl]-2-(2-nitroanilino)acetamide;hydrochloride
CID 119507792
N-(2-aminoethyl)-2-fluoro-6-nitrobenzenesulfonamide
CID 86780511
methyl N-[2-(2-nitroanilino)ethyl]carbamate
CID 23551562
5-fluoro-2-methyl-N-[2-(2-nitroanilino)ethyl]benzamide
CID 36937734
4-(4-nitroanilino)-N-[2-(2-nitroanilino)ethyl]butanamide
CID 31738306

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide?
The IUPAC name of 2-[(2,6-difluorophenyl)sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide (CID 9278743) is 2-[(2,6-difluorophenyl)sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide.
What is the SMILES notation for 2-[(2,6-difluorophenyl)sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide?
The canonical SMILES for 2-[(2,6-difluorophenyl)sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide is O=C(CNS(=O)(=O)c1c(F)cccc1F)NCCNc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[(2,6-difluorophenyl)sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide?
The InChIKey is AVZNZSOLIOHHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O5S/c17-11-4-3-5-12(18)16(11)28(26,27)21-10-15(23)20-9-8-19-13-6-1-2-7-14(13)22(24)25/h1-7,19,21H,8-10H2,(H,20,23).
What are the key properties of 2-[(2,6-difluorophenyl)sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide?
2-[(2,6-difluorophenyl)sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide has a molecular weight of 414.39 g/mol, XLogP of 1.38, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide is sourced from PubChem (CID 9278743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).