5-[(4-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide

C24H26FN5O3S — CID 54752118

IUPAC5-[(4-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccc(C#N)cc2)c1C(=O)N[C@@H](C)C(C)(C)C
InChIInChI=1S/C24H26FN5O3S/c1-15-21(23(31)27-16(2)24(3,4)5)22(30(28-15)19-10-8-18(25)9-11-19)29-34(32,33)20-12-6-17(14-26)7-13-20/h6-13,16,29H,1-5H3,(H,27,31)/t16-/m0/s1
InChIKeyVTFOIOURAFZEDM-INIZCTEOSA-N
MW483.57 g/mol
LogP4.16
Rot. Bonds6

About 5-[(4-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide

5-[(4-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide (PubChem CID 54752118) has the molecular formula C24H26FN5O3S and a molecular weight of 483.57 g/mol. Its IUPAC name is 5-[(4-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
PubChem CID54752118
Molecular FormulaC24H26FN5O3S
Molecular Weight483.57 g/mol
Exact Mass483.17
IUPAC Name5-[(4-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccc(C#N)cc2)c1C(=O)N[C@@H](C)C(C)(C)C
InChIInChI=1S/C24H26FN5O3S/c1-15-21(23(31)27-16(2)24(3,4)5)22(30(28-15)19-10-8-18(25)9-11-19)29-34(32,33)20-12-6-17(14-26)7-13-20/h6-13,16,29H,1-5H3,(H,27,31)/t16-/m0/s1
InChIKeyVTFOIOURAFZEDM-INIZCTEOSA-N
XLogP4.16
TPSA116.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of 5-[(4-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide (CID 54752118) is 5-[(4-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-[(4-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-[(4-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide is Cc1nn(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccc(C#N)cc2)c1C(=O)N[C@@H](C)C(C)(C)C.
What is the InChIKey of 5-[(4-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide?
The InChIKey is VTFOIOURAFZEDM-INIZCTEOSA-N. The full InChI is InChI=1S/C24H26FN5O3S/c1-15-21(23(31)27-16(2)24(3,4)5)22(30(28-15)19-10-8-18(25)9-11-19)29-34(32,33)20-12-6-17(14-26)7-13-20/h6-13,16,29H,1-5H3,(H,27,31)/t16-/m0/s1.
What are the key properties of 5-[(4-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide?
5-[(4-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 54752118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).