N-[2-(benzenesulfonamido)ethyl]-2-fluoro-4-methoxybenzamide

C16H17FN2O4S — CID 86922045

IUPACN-[2-(benzenesulfonamido)ethyl]-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCNS(=O)(=O)c2ccccc2)c(F)c1
InChIInChI=1S/C16H17FN2O4S/c1-23-12-7-8-14(15(17)11-12)16(20)18-9-10-19-24(21,22)13-5-3-2-4-6-13/h2-8,11,19H,9-10H2,1H3,(H,18,20)
InChIKeyDANHQRNBTFWBHI-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.54
Rot. Bonds7

About N-[2-(benzenesulfonamido)ethyl]-2-fluoro-4-methoxybenzamide

N-[2-(benzenesulfonamido)ethyl]-2-fluoro-4-methoxybenzamide (PubChem CID 86922045) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[2-(benzenesulfonamido)ethyl]-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonamido)ethyl]-2-fluoro-4-methoxybenzamide
PubChem CID86922045
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC NameN-[2-(benzenesulfonamido)ethyl]-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCNS(=O)(=O)c2ccccc2)c(F)c1
InChIInChI=1S/C16H17FN2O4S/c1-23-12-7-8-14(15(17)11-12)16(20)18-9-10-19-24(21,22)13-5-3-2-4-6-13/h2-8,11,19H,9-10H2,1H3,(H,18,20)
InChIKeyDANHQRNBTFWBHI-UHFFFAOYSA-N
XLogP1.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.54
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

2-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718082
N-[2-(benzenesulfonamido)ethyl]-3,5-dimethoxybenzamide
CID 108571361
N-[2-(benzylsulfamoyl)ethyl]-2-fluoro-4-methoxybenzamide
CID 55795889
2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide
CID 30756648
2-chloro-4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 33430634
2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide
CID 17408402
N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide
CID 102883572
N-[2-[(2-fluoro-4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide
CID 86920882
4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718070
2-[2-(benzenesulfonamido)ethylcarbamoyl]benzoic acid
CID 113083408
2-fluoro-4-methoxy-N-pent-3-ynylbenzamide
CID 103951557
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-oxochromene-3-carboxamide
CID 33430522

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonamido)ethyl]-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-[2-(benzenesulfonamido)ethyl]-2-fluoro-4-methoxybenzamide (CID 86922045) is N-[2-(benzenesulfonamido)ethyl]-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[2-(benzenesulfonamido)ethyl]-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[2-(benzenesulfonamido)ethyl]-2-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NCCNS(=O)(=O)c2ccccc2)c(F)c1.
What is the InChIKey of N-[2-(benzenesulfonamido)ethyl]-2-fluoro-4-methoxybenzamide?
The InChIKey is DANHQRNBTFWBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-23-12-7-8-14(15(17)11-12)16(20)18-9-10-19-24(21,22)13-5-3-2-4-6-13/h2-8,11,19H,9-10H2,1H3,(H,18,20).
What are the key properties of N-[2-(benzenesulfonamido)ethyl]-2-fluoro-4-methoxybenzamide?
N-[2-(benzenesulfonamido)ethyl]-2-fluoro-4-methoxybenzamide has a molecular weight of 352.39 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonamido)ethyl]-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 86922045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).