1-(difluoromethyl)-5-methyl-N-[(2R)-4-morpholin-4-ylbutan-2-yl]pyrazole-4-sulfonamide

C13H22F2N4O3S — CID 92595112

IUPAC1-(difluoromethyl)-5-methyl-N-[(2R)-4-morpholin-4-ylbutan-2-yl]pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)N[C@H](C)CCN2CCOCC2)cnn1C(F)F
InChIInChI=1S/C13H22F2N4O3S/c1-10(3-4-18-5-7-22-8-6-18)17-23(20,21)12-9-16-19(11(12)2)13(14)15/h9-10,13,17H,3-8H2,1-2H3/t10-/m1/s1
InChIKeyHFODECZWZAWLPN-SNVBAGLBSA-N
MW352.41 g/mol
LogP0.98
Rot. Bonds7

About 1-(difluoromethyl)-5-methyl-N-[(2R)-4-morpholin-4-ylbutan-2-yl]pyrazole-4-sulfonamide

1-(difluoromethyl)-5-methyl-N-[(2R)-4-morpholin-4-ylbutan-2-yl]pyrazole-4-sulfonamide (PubChem CID 92595112) has the molecular formula C13H22F2N4O3S and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-methyl-N-[(2R)-4-morpholin-4-ylbutan-2-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-5-methyl-N-[(2R)-4-morpholin-4-ylbutan-2-yl]pyrazole-4-sulfonamide
PubChem CID92595112
Molecular FormulaC13H22F2N4O3S
Molecular Weight352.41 g/mol
Exact Mass352.14
IUPAC Name1-(difluoromethyl)-5-methyl-N-[(2R)-4-morpholin-4-ylbutan-2-yl]pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)N[C@H](C)CCN2CCOCC2)cnn1C(F)F
InChIInChI=1S/C13H22F2N4O3S/c1-10(3-4-18-5-7-22-8-6-18)17-23(20,21)12-9-16-19(11(12)2)13(14)15/h9-10,13,17H,3-8H2,1-2H3/t10-/m1/s1
InChIKeyHFODECZWZAWLPN-SNVBAGLBSA-N
XLogP0.98
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-methyl-N-[(2R)-4-morpholin-4-ylbutan-2-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-5-methyl-N-[(2R)-4-morpholin-4-ylbutan-2-yl]pyrazole-4-sulfonamide (CID 92595112) is 1-(difluoromethyl)-5-methyl-N-[(2R)-4-morpholin-4-ylbutan-2-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-5-methyl-N-[(2R)-4-morpholin-4-ylbutan-2-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-5-methyl-N-[(2R)-4-morpholin-4-ylbutan-2-yl]pyrazole-4-sulfonamide is Cc1c(S(=O)(=O)N[C@H](C)CCN2CCOCC2)cnn1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-5-methyl-N-[(2R)-4-morpholin-4-ylbutan-2-yl]pyrazole-4-sulfonamide?
The InChIKey is HFODECZWZAWLPN-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22F2N4O3S/c1-10(3-4-18-5-7-22-8-6-18)17-23(20,21)12-9-16-19(11(12)2)13(14)15/h9-10,13,17H,3-8H2,1-2H3/t10-/m1/s1.
What are the key properties of 1-(difluoromethyl)-5-methyl-N-[(2R)-4-morpholin-4-ylbutan-2-yl]pyrazole-4-sulfonamide?
1-(difluoromethyl)-5-methyl-N-[(2R)-4-morpholin-4-ylbutan-2-yl]pyrazole-4-sulfonamide has a molecular weight of 352.41 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-methyl-N-[(2R)-4-morpholin-4-ylbutan-2-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 92595112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).