4-[[(2S)-butan-2-yl]sulfamoyl]-N-pyridin-2-ylbenzamide

C16H19N3O3S — CID 41273948

IUPAC4-[[(2S)-butan-2-yl]sulfamoyl]-N-pyridin-2-ylbenzamide
SMILESCC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C16H19N3O3S/c1-3-12(2)19-23(21,22)14-9-7-13(8-10-14)16(20)18-15-6-4-5-11-17-15/h4-12,19H,3H2,1-2H3,(H,17,18,20)/t12-/m0/s1
InChIKeyDPHZZQQLYZKXBW-LBPRGKRZSA-N
MW333.41 g/mol
LogP2.41
Rot. Bonds6

About 4-[[(2S)-butan-2-yl]sulfamoyl]-N-pyridin-2-ylbenzamide

4-[[(2S)-butan-2-yl]sulfamoyl]-N-pyridin-2-ylbenzamide (PubChem CID 41273948) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-[[(2S)-butan-2-yl]sulfamoyl]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-[[(2S)-butan-2-yl]sulfamoyl]-N-pyridin-2-ylbenzamide
PubChem CID41273948
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name4-[[(2S)-butan-2-yl]sulfamoyl]-N-pyridin-2-ylbenzamide
SMILESCC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C16H19N3O3S/c1-3-12(2)19-23(21,22)14-9-7-13(8-10-14)16(20)18-15-6-4-5-11-17-15/h4-12,19H,3H2,1-2H3,(H,17,18,20)/t12-/m0/s1
InChIKeyDPHZZQQLYZKXBW-LBPRGKRZSA-N
XLogP2.41
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide
CID 46651946
4-(diethylsulfamoyl)-N-pyridin-2-ylbenzamide
CID 46671899
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-4-phenylbenzamide
CID 2162899
4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide
CID 46529057
3-(propan-2-ylsulfamoyl)-N-pyridin-2-ylbenzamide
CID 35035772
4-(butan-2-ylsulfamoyl)-N-(2,6-difluorophenyl)benzamide
CID 55485773
4-(butan-2-ylsulfamoyl)-N-(2-propoxyphenyl)benzamide
CID 46575308
4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 9315245
4-[[(2S)-butan-2-yl]sulfamoyl]-N-[(1R)-1-phenylethyl]benzamide
CID 9315248
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide
CID 4209013
4-(butan-2-ylsulfamoyl)-N-(3-hydroxyphenyl)benzamide
CID 78783239

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-butan-2-yl]sulfamoyl]-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-[[(2S)-butan-2-yl]sulfamoyl]-N-pyridin-2-ylbenzamide (CID 41273948) is 4-[[(2S)-butan-2-yl]sulfamoyl]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-[[(2S)-butan-2-yl]sulfamoyl]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-[[(2S)-butan-2-yl]sulfamoyl]-N-pyridin-2-ylbenzamide is CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccccn2)cc1.
What is the InChIKey of 4-[[(2S)-butan-2-yl]sulfamoyl]-N-pyridin-2-ylbenzamide?
The InChIKey is DPHZZQQLYZKXBW-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-3-12(2)19-23(21,22)14-9-7-13(8-10-14)16(20)18-15-6-4-5-11-17-15/h4-12,19H,3H2,1-2H3,(H,17,18,20)/t12-/m0/s1.
What are the key properties of 4-[[(2S)-butan-2-yl]sulfamoyl]-N-pyridin-2-ylbenzamide?
4-[[(2S)-butan-2-yl]sulfamoyl]-N-pyridin-2-ylbenzamide has a molecular weight of 333.41 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-butan-2-yl]sulfamoyl]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 41273948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).