N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide

C17H19FN2O3S — CID 7333137

IUPACN-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide
SMILESCC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C17H19FN2O3S/c1-3-12(2)20-24(22,23)16-9-7-15(8-10-16)19-17(21)13-5-4-6-14(18)11-13/h4-12,20H,3H2,1-2H3,(H,19,21)/t12-/m0/s1
InChIKeyQAASMNMBDBRTAW-LBPRGKRZSA-N
MW350.42 g/mol
LogP3.15
Rot. Bonds6

About N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide

N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide (PubChem CID 7333137) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide
PubChem CID7333137
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC NameN-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide
SMILESCC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C17H19FN2O3S/c1-3-12(2)20-24(22,23)16-9-7-15(8-10-16)19-17(21)13-5-4-6-14(18)11-13/h4-12,20H,3H2,1-2H3,(H,19,21)/t12-/m0/s1
InChIKeyQAASMNMBDBRTAW-LBPRGKRZSA-N
XLogP3.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 51566572
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(2-methylpropanoylamino)benzamide
CID 1214324
3-fluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide
CID 110778716
N-(4-acetylphenyl)-3-(butan-2-ylsulfamoyl)benzamide
CID 109062983
4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
N-[4-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 3643564
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-fluorobenzamide
CID 55865230
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-4-phenylbenzamide
CID 2162899
4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide
CID 46529057
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide
CID 4209013
3-fluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2521510
4-(butan-2-ylsulfamoyl)-N-(3-hydroxyphenyl)benzamide
CID 78783239

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide?
The IUPAC name of N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide (CID 7333137) is N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide?
The canonical SMILES for N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide is CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide?
The InChIKey is QAASMNMBDBRTAW-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-3-12(2)20-24(22,23)16-9-7-15(8-10-16)19-17(21)13-5-4-6-14(18)11-13/h4-12,20H,3H2,1-2H3,(H,19,21)/t12-/m0/s1.
What are the key properties of N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide?
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide has a molecular weight of 350.42 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide is sourced from PubChem (CID 7333137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).