3-[(2-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethylbenzamide

C17H18ClFN2O3S — CID 134040441

IUPAC3-[(2-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NS(=O)(=O)c2ccc(F)cc2Cl)c1
InChIInChI=1S/C17H18ClFN2O3S/c1-3-21(4-2)17(22)12-6-5-7-14(10-12)20-25(23,24)16-9-8-13(19)11-15(16)18/h5-11,20H,3-4H2,1-2H3
InChIKeyBASCNGUCBLOATR-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.76
Rot. Bonds6

About 3-[(2-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethylbenzamide

3-[(2-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethylbenzamide (PubChem CID 134040441) has the molecular formula C17H18ClFN2O3S and a molecular weight of 384.86 g/mol. Its IUPAC name is 3-[(2-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[(2-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethylbenzamide
PubChem CID134040441
Molecular FormulaC17H18ClFN2O3S
Molecular Weight384.86 g/mol
Exact Mass384.07
IUPAC Name3-[(2-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NS(=O)(=O)c2ccc(F)cc2Cl)c1
InChIInChI=1S/C17H18ClFN2O3S/c1-3-21(4-2)17(22)12-6-5-7-14(10-12)20-25(23,24)16-9-8-13(19)11-15(16)18/h5-11,20H,3-4H2,1-2H3
InChIKeyBASCNGUCBLOATR-UHFFFAOYSA-N
XLogP3.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-[(3-fluorophenyl)sulfamoyl]benzamide
CID 47946318
3-[(2-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629332
N,N-diethyl-3-[[3-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
CID 26712749
3-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-methylbenzamide
CID 134057882
N,N-diethyl-3-[(2-methoxy-5-methylphenyl)sulfonylamino]benzamide
CID 8519190
N-(3-acetylphenyl)-2,4-difluorobenzenesulfonamide
CID 3836234
2-chloro-N-(3-cyanophenyl)-4-fluorobenzenesulfonamide
CID 47154362
N,N-diethyl-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzamide
CID 86980323
3-[(2-amino-4-fluorophenyl)sulfonylamino]benzamide
CID 61105800
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55790239
2-bromo-N-[3-(diethylcarbamoyl)phenyl]-4-fluorobenzamide
CID 26313397
3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 24656490

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethylbenzamide?
The IUPAC name of 3-[(2-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethylbenzamide (CID 134040441) is 3-[(2-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[(2-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethylbenzamide?
The canonical SMILES for 3-[(2-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(NS(=O)(=O)c2ccc(F)cc2Cl)c1.
What is the InChIKey of 3-[(2-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethylbenzamide?
The InChIKey is BASCNGUCBLOATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O3S/c1-3-21(4-2)17(22)12-6-5-7-14(10-12)20-25(23,24)16-9-8-13(19)11-15(16)18/h5-11,20H,3-4H2,1-2H3.
What are the key properties of 3-[(2-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethylbenzamide?
3-[(2-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethylbenzamide has a molecular weight of 384.86 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethylbenzamide is sourced from PubChem (CID 134040441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).