N-butan-2-yl-3-[(4-cyanophenyl)sulfamoyl]benzamide

C18H19N3O3S — CID 109063102

IUPACN-butan-2-yl-3-[(4-cyanophenyl)sulfamoyl]benzamide
SMILESCCC(C)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C18H19N3O3S/c1-3-13(2)20-18(22)15-5-4-6-17(11-15)25(23,24)21-16-9-7-14(12-19)8-10-16/h4-11,13,21H,3H2,1-2H3,(H,20,22)
InChIKeyUGNHBQYSXRYSDK-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.89
Rot. Bonds6

About N-butan-2-yl-3-[(4-cyanophenyl)sulfamoyl]benzamide

N-butan-2-yl-3-[(4-cyanophenyl)sulfamoyl]benzamide (PubChem CID 109063102) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-butan-2-yl-3-[(4-cyanophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(4-cyanophenyl)sulfamoyl]benzamide
PubChem CID109063102
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-butan-2-yl-3-[(4-cyanophenyl)sulfamoyl]benzamide
SMILESCCC(C)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C18H19N3O3S/c1-3-13(2)20-18(22)15-5-4-6-17(11-15)25(23,24)21-16-9-7-14(12-19)8-10-16/h4-11,13,21H,3H2,1-2H3,(H,20,22)
InChIKeyUGNHBQYSXRYSDK-UHFFFAOYSA-N
XLogP2.89
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 109063056
3-[(4-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 132654290
N-(1-hydroxypropan-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 78856434
N-butan-2-yl-3-[(2,4,6-trimethylphenyl)sulfamoyl]benzamide
CID 109063065
3-[(4-cyanophenyl)sulfamoyl]-N-(4-fluorophenyl)benzamide
CID 109065822
N-butan-2-yl-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 109063059
3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26499000
N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41448539
3-[(4-fluorophenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide
CID 46663760
N-(3-cyanophenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164276
3-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propan-2-ylbenzamide
CID 109062218
N-[(2R)-butan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 34269316

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(4-cyanophenyl)sulfamoyl]benzamide?
The IUPAC name of N-butan-2-yl-3-[(4-cyanophenyl)sulfamoyl]benzamide (CID 109063102) is N-butan-2-yl-3-[(4-cyanophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[(4-cyanophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-butan-2-yl-3-[(4-cyanophenyl)sulfamoyl]benzamide is CCC(C)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C#N)cc2)c1.
What is the InChIKey of N-butan-2-yl-3-[(4-cyanophenyl)sulfamoyl]benzamide?
The InChIKey is UGNHBQYSXRYSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-3-13(2)20-18(22)15-5-4-6-17(11-15)25(23,24)21-16-9-7-14(12-19)8-10-16/h4-11,13,21H,3H2,1-2H3,(H,20,22).
What are the key properties of N-butan-2-yl-3-[(4-cyanophenyl)sulfamoyl]benzamide?
N-butan-2-yl-3-[(4-cyanophenyl)sulfamoyl]benzamide has a molecular weight of 357.44 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(4-cyanophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 109063102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).