4-[[(2R)-butan-2-yl]sulfamoyl]-N-[3-(triazol-1-yl)phenyl]benzamide

C19H21N5O3S — CID 97025472

IUPAC4-[[(2R)-butan-2-yl]sulfamoyl]-N-[3-(triazol-1-yl)phenyl]benzamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(-n3ccnn3)c2)cc1
InChIInChI=1S/C19H21N5O3S/c1-3-14(2)22-28(26,27)18-9-7-15(8-10-18)19(25)21-16-5-4-6-17(13-16)24-12-11-20-23-24/h4-14,22H,3H2,1-2H3,(H,21,25)/t14-/m1/s1
InChIKeyDFBMRDHMQGSPLS-CQSZACIVSA-N
MW399.48 g/mol
LogP2.60
Rot. Bonds7

About 4-[[(2R)-butan-2-yl]sulfamoyl]-N-[3-(triazol-1-yl)phenyl]benzamide

4-[[(2R)-butan-2-yl]sulfamoyl]-N-[3-(triazol-1-yl)phenyl]benzamide (PubChem CID 97025472) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 4-[[(2R)-butan-2-yl]sulfamoyl]-N-[3-(triazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-[[(2R)-butan-2-yl]sulfamoyl]-N-[3-(triazol-1-yl)phenyl]benzamide
PubChem CID97025472
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name4-[[(2R)-butan-2-yl]sulfamoyl]-N-[3-(triazol-1-yl)phenyl]benzamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(-n3ccnn3)c2)cc1
InChIInChI=1S/C19H21N5O3S/c1-3-14(2)22-28(26,27)18-9-7-15(8-10-18)19(25)21-16-5-4-6-17(13-16)24-12-11-20-23-24/h4-14,22H,3H2,1-2H3,(H,21,25)/t14-/m1/s1
InChIKeyDFBMRDHMQGSPLS-CQSZACIVSA-N
XLogP2.60
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(butan-2-ylsulfamoyl)-N-(3-hydroxyphenyl)benzamide
CID 78783239
4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
4-(butan-2-ylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46521899
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(2-methylpropanoylamino)benzamide
CID 1214324
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
4-[[(2S)-butan-2-yl]sulfamoyl]-N-pyridin-2-ylbenzamide
CID 41273948
4-(butan-2-ylsulfamoyl)-N-(2,6-difluorophenyl)benzamide
CID 55485773
4-(butan-2-ylsulfamoyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 55493759
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

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-butan-2-yl]sulfamoyl]-N-[3-(triazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-[[(2R)-butan-2-yl]sulfamoyl]-N-[3-(triazol-1-yl)phenyl]benzamide (CID 97025472) is 4-[[(2R)-butan-2-yl]sulfamoyl]-N-[3-(triazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-[[(2R)-butan-2-yl]sulfamoyl]-N-[3-(triazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-[[(2R)-butan-2-yl]sulfamoyl]-N-[3-(triazol-1-yl)phenyl]benzamide is CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(-n3ccnn3)c2)cc1.
What is the InChIKey of 4-[[(2R)-butan-2-yl]sulfamoyl]-N-[3-(triazol-1-yl)phenyl]benzamide?
The InChIKey is DFBMRDHMQGSPLS-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-3-14(2)22-28(26,27)18-9-7-15(8-10-18)19(25)21-16-5-4-6-17(13-16)24-12-11-20-23-24/h4-14,22H,3H2,1-2H3,(H,21,25)/t14-/m1/s1.
What are the key properties of 4-[[(2R)-butan-2-yl]sulfamoyl]-N-[3-(triazol-1-yl)phenyl]benzamide?
4-[[(2R)-butan-2-yl]sulfamoyl]-N-[3-(triazol-1-yl)phenyl]benzamide has a molecular weight of 399.48 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-butan-2-yl]sulfamoyl]-N-[3-(triazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 97025472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).