N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide

C17H19F2N3O3S — CID 58198380

IUPACN-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide
SMILESCn1nc(C2CC2)cc1NC(=O)C(C)(C)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C17H19F2N3O3S/c1-17(2,26(24,25)14-7-6-11(18)8-12(14)19)16(23)20-15-9-13(10-4-5-10)21-22(15)3/h6-10H,4-5H2,1-3H3,(H,20,23)
InChIKeyIWKCVWMRCKVWFN-UHFFFAOYSA-N
MW383.42 g/mol
LogP2.77
Rot. Bonds5

About N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide

N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide (PubChem CID 58198380) has the molecular formula C17H19F2N3O3S and a molecular weight of 383.42 g/mol. Its IUPAC name is N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide
PubChem CID58198380
Molecular FormulaC17H19F2N3O3S
Molecular Weight383.42 g/mol
Exact Mass383.11
IUPAC NameN-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide
SMILESCn1nc(C2CC2)cc1NC(=O)C(C)(C)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C17H19F2N3O3S/c1-17(2,26(24,25)14-7-6-11(18)8-12(14)19)16(23)20-15-9-13(10-4-5-10)21-22(15)3/h6-10H,4-5H2,1-3H3,(H,20,23)
InChIKeyIWKCVWMRCKVWFN-UHFFFAOYSA-N
XLogP2.77
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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CID 44051555
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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide?
The IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide (CID 58198380) is N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide.
What is the SMILES notation for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide?
The canonical SMILES for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide is Cn1nc(C2CC2)cc1NC(=O)C(C)(C)S(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide?
The InChIKey is IWKCVWMRCKVWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O3S/c1-17(2,26(24,25)14-7-6-11(18)8-12(14)19)16(23)20-15-9-13(10-4-5-10)21-22(15)3/h6-10H,4-5H2,1-3H3,(H,20,23).
What are the key properties of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide?
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide has a molecular weight of 383.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide is sourced from PubChem (CID 58198380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).