4-(butan-2-ylsulfamoyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]benzamide

C19H23F2N3O3S — CID 55862793

IUPAC4-(butan-2-ylsulfamoyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(F)c(N(C)C)c(F)c2)cc1
InChIInChI=1S/C19H23F2N3O3S/c1-5-12(2)23-28(26,27)15-8-6-13(7-9-15)19(25)22-14-10-16(20)18(24(3)4)17(21)11-14/h6-12,23H,5H2,1-4H3,(H,22,25)
InChIKeyNLXGJEYEOBODHO-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.36
Rot. Bonds7

About 4-(butan-2-ylsulfamoyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]benzamide

4-(butan-2-ylsulfamoyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]benzamide (PubChem CID 55862793) has the molecular formula C19H23F2N3O3S and a molecular weight of 411.47 g/mol. Its IUPAC name is 4-(butan-2-ylsulfamoyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]benzamide.

Molecular Properties

Compound Name4-(butan-2-ylsulfamoyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]benzamide
PubChem CID55862793
Molecular FormulaC19H23F2N3O3S
Molecular Weight411.47 g/mol
Exact Mass411.14
IUPAC Name4-(butan-2-ylsulfamoyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(F)c(N(C)C)c(F)c2)cc1
InChIInChI=1S/C19H23F2N3O3S/c1-5-12(2)23-28(26,27)15-8-6-13(7-9-15)19(25)22-14-10-16(20)18(24(3)4)17(21)11-14/h6-12,23H,5H2,1-4H3,(H,22,25)
InChIKeyNLXGJEYEOBODHO-UHFFFAOYSA-N
XLogP3.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide
CID 46529057
4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
4-(butan-2-ylsulfamoyl)-N-(2,6-difluorophenyl)benzamide
CID 55485773
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-4-(diethylamino)benzamide
CID 51566582
4-(butan-2-ylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 46646956
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide
CID 4209013
4-(butan-2-ylsulfamoyl)-N-(3-hydroxyphenyl)benzamide
CID 78783239
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide
CID 7333137
N-(1,3-benzodioxol-5-yl)-4-[[(2R)-butan-2-yl]sulfamoyl]benzamide
CID 9313872
4-(butan-2-ylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46521899
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-4-phenylbenzamide
CID 2162899
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-propoxybenzamide
CID 17160202

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylsulfamoyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]benzamide?
The IUPAC name of 4-(butan-2-ylsulfamoyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]benzamide (CID 55862793) is 4-(butan-2-ylsulfamoyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]benzamide.
What is the SMILES notation for 4-(butan-2-ylsulfamoyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]benzamide?
The canonical SMILES for 4-(butan-2-ylsulfamoyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]benzamide is CCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(F)c(N(C)C)c(F)c2)cc1.
What is the InChIKey of 4-(butan-2-ylsulfamoyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]benzamide?
The InChIKey is NLXGJEYEOBODHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O3S/c1-5-12(2)23-28(26,27)15-8-6-13(7-9-15)19(25)22-14-10-16(20)18(24(3)4)17(21)11-14/h6-12,23H,5H2,1-4H3,(H,22,25).
What are the key properties of 4-(butan-2-ylsulfamoyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]benzamide?
4-(butan-2-ylsulfamoyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]benzamide has a molecular weight of 411.47 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylsulfamoyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]benzamide is sourced from PubChem (CID 55862793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).