N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide

C18H24ClN3O3S — CID 25181481

IUPACN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H24ClN3O3S/c1-17(2,3)14-11-15(22(6)21-14)20-16(23)18(4,5)26(24,25)13-9-7-12(19)8-10-13/h7-11H,1-6H3,(H,20,23)
InChIKeyYTVVUEHBECILFK-UHFFFAOYSA-N
MW397.93 g/mol
LogP3.56
Rot. Bonds4

About N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide

N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide (PubChem CID 25181481) has the molecular formula C18H24ClN3O3S and a molecular weight of 397.93 g/mol. Its IUPAC name is N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide
PubChem CID25181481
Molecular FormulaC18H24ClN3O3S
Molecular Weight397.93 g/mol
Exact Mass397.12
IUPAC NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H24ClN3O3S/c1-17(2,3)14-11-15(22(6)21-14)20-16(23)18(4,5)26(24,25)13-9-7-12(19)8-10-13/h7-11H,1-6H3,(H,20,23)
InChIKeyYTVVUEHBECILFK-UHFFFAOYSA-N
XLogP3.56
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide?
The IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide (CID 25181481) is N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide.
What is the SMILES notation for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide?
The canonical SMILES for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide is Cn1nc(C(C)(C)C)cc1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide?
The InChIKey is YTVVUEHBECILFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3S/c1-17(2,3)14-11-15(22(6)21-14)20-16(23)18(4,5)26(24,25)13-9-7-12(19)8-10-13/h7-11H,1-6H3,(H,20,23).
What are the key properties of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide?
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide has a molecular weight of 397.93 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide is sourced from PubChem (CID 25181481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).