2-chloro-4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide

C16H16ClFN2O4S — CID 33430634

IUPAC2-chloro-4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C16H16ClFN2O4S/c1-24-12-3-5-13(6-4-12)25(22,23)20-9-8-19-16(21)14-7-2-11(18)10-15(14)17/h2-7,10,20H,8-9H2,1H3,(H,19,21)
InChIKeyBKEZIKWQDDQFJP-UHFFFAOYSA-N
MW386.83 g/mol
LogP2.20
Rot. Bonds7

About 2-chloro-4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide

2-chloro-4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide (PubChem CID 33430634) has the molecular formula C16H16ClFN2O4S and a molecular weight of 386.83 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
PubChem CID33430634
Molecular FormulaC16H16ClFN2O4S
Molecular Weight386.83 g/mol
Exact Mass386.05
IUPAC Name2-chloro-4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C16H16ClFN2O4S/c1-24-12-3-5-13(6-4-12)25(22,23)20-9-8-19-16(21)14-7-2-11(18)10-15(14)17/h2-7,10,20H,8-9H2,1H3,(H,19,21)
InChIKeyBKEZIKWQDDQFJP-UHFFFAOYSA-N
XLogP2.20
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.83
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718070
2-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718082
N-[2-(benzenesulfonamido)ethyl]-2-fluoro-4-methoxybenzamide
CID 86922045
2,4-dichloro-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide
CID 33340835
N-[(2-chloro-4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 3829600
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 70752609
2-chloro-4-fluoro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide
CID 91817021
N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108571060
2-chloro-N-[3-[2-[(2,5-dimethylphenyl)sulfonylamino]ethylamino]-3-oxopropyl]-4-fluorobenzamide
CID 55761571
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-oxochromene-3-carboxamide
CID 33430522
1-(4-methoxyphenyl)-2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyrrole-3-carboxamide
CID 35353199
2,4-difluoro-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide
CID 60583733

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide (CID 33430634) is 2-chloro-4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide is COc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(F)cc2Cl)cc1.
What is the InChIKey of 2-chloro-4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide?
The InChIKey is BKEZIKWQDDQFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O4S/c1-24-12-3-5-13(6-4-12)25(22,23)20-9-8-19-16(21)14-7-2-11(18)10-15(14)17/h2-7,10,20H,8-9H2,1H3,(H,19,21).
What are the key properties of 2-chloro-4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide?
2-chloro-4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide has a molecular weight of 386.83 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide is sourced from PubChem (CID 33430634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).