N-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(1-methylcyclopropyl)benzamide

C16H19N3O3S — CID 154869028

IUPACN-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(1-methylcyclopropyl)benzamide
SMILESCc1cnn(C)c1S(=O)(=O)NC(=O)c1ccccc1C1(C)CC1
InChIInChI=1S/C16H19N3O3S/c1-11-10-17-19(3)15(11)23(21,22)18-14(20)12-6-4-5-7-13(12)16(2)8-9-16/h4-7,10H,8-9H2,1-3H3,(H,18,20)
InChIKeyVHPKIYBQQPIAEB-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.90
Rot. Bonds4

About N-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(1-methylcyclopropyl)benzamide

N-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(1-methylcyclopropyl)benzamide (PubChem CID 154869028) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(1-methylcyclopropyl)benzamide.

Molecular Properties

Compound NameN-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(1-methylcyclopropyl)benzamide
PubChem CID154869028
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(1-methylcyclopropyl)benzamide
SMILESCc1cnn(C)c1S(=O)(=O)NC(=O)c1ccccc1C1(C)CC1
InChIInChI=1S/C16H19N3O3S/c1-11-10-17-19(3)15(11)23(21,22)18-14(20)12-6-4-5-7-13(12)16(2)8-9-16/h4-7,10H,8-9H2,1-3H3,(H,18,20)
InChIKeyVHPKIYBQQPIAEB-UHFFFAOYSA-N
XLogP1.90
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(1-methylcyclopropyl)benzamide?
The IUPAC name of N-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(1-methylcyclopropyl)benzamide (CID 154869028) is N-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(1-methylcyclopropyl)benzamide.
What is the SMILES notation for N-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(1-methylcyclopropyl)benzamide?
The canonical SMILES for N-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(1-methylcyclopropyl)benzamide is Cc1cnn(C)c1S(=O)(=O)NC(=O)c1ccccc1C1(C)CC1.
What is the InChIKey of N-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(1-methylcyclopropyl)benzamide?
The InChIKey is VHPKIYBQQPIAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-11-10-17-19(3)15(11)23(21,22)18-14(20)12-6-4-5-7-13(12)16(2)8-9-16/h4-7,10H,8-9H2,1-3H3,(H,18,20).
What are the key properties of N-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(1-methylcyclopropyl)benzamide?
N-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(1-methylcyclopropyl)benzamide has a molecular weight of 333.41 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(1-methylcyclopropyl)benzamide is sourced from PubChem (CID 154869028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).