5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluorobenzamide

C19H28FN5O3S — CID 86968752

IUPAC5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCC(c2cnn(C)c2)N(C)C)c1
InChIInChI=1S/C19H28FN5O3S/c1-6-25(7-2)29(27,28)15-8-9-17(20)16(10-15)19(26)21-12-18(23(3)4)14-11-22-24(5)13-14/h8-11,13,18H,6-7,12H2,1-5H3,(H,21,26)
InChIKeyBKRZYVAJNMHNBF-UHFFFAOYSA-N
MW425.53 g/mol
LogP1.62
Rot. Bonds9

About 5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluorobenzamide

5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluorobenzamide (PubChem CID 86968752) has the molecular formula C19H28FN5O3S and a molecular weight of 425.53 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluorobenzamide
PubChem CID86968752
Molecular FormulaC19H28FN5O3S
Molecular Weight425.53 g/mol
Exact Mass425.19
IUPAC Name5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCC(c2cnn(C)c2)N(C)C)c1
InChIInChI=1S/C19H28FN5O3S/c1-6-25(7-2)29(27,28)15-8-9-17(20)16(10-15)19(26)21-12-18(23(3)4)14-11-22-24(5)13-14/h8-11,13,18H,6-7,12H2,1-5H3,(H,21,26)
InChIKeyBKRZYVAJNMHNBF-UHFFFAOYSA-N
XLogP1.62
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluoro-4-pyrimidin-5-ylbenzamide
CID 126780920
5-(diethylsulfamoyl)-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide
CID 9301737
5-(diethylsulfamoyl)-2-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 86823530
N-(cyclopropylmethyl)-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 34825943
5-(diethylsulfamoyl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 20967213
5-(diethylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide
CID 26102432
N-[(2R)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-6-ethylsulfanylpyridine-3-carboxamide
CID 95980506
5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide
CID 51158899
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-difluorobenzamide
CID 26423277
5-(diethylsulfamoyl)-2-fluoro-N-(3-phenylsulfanylpropyl)benzamide
CID 38766346
5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-(1-phenylethyl)benzamide
CID 51188228
6-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 42907174

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluorobenzamide?
The IUPAC name of 5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluorobenzamide (CID 86968752) is 5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluorobenzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluorobenzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluorobenzamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCC(c2cnn(C)c2)N(C)C)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluorobenzamide?
The InChIKey is BKRZYVAJNMHNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN5O3S/c1-6-25(7-2)29(27,28)15-8-9-17(20)16(10-15)19(26)21-12-18(23(3)4)14-11-22-24(5)13-14/h8-11,13,18H,6-7,12H2,1-5H3,(H,21,26).
What are the key properties of 5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluorobenzamide?
5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluorobenzamide has a molecular weight of 425.53 g/mol, XLogP of 1.62, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 86968752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).