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

C24H26FN5O3S — CID 170648386

IUPAC4-[(4-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESC[C@H](NC(=O)c1c(NS(=O)(=O)c2ccc(C#N)cc2)c(-c2ccc(F)cc2)nn1C)C(C)(C)C
InChIInChI=1S/C24H26FN5O3S/c1-15(24(2,3)4)27-23(31)22-21(20(28-30(22)5)17-8-10-18(25)11-9-17)29-34(32,33)19-12-6-16(14-26)7-13-19/h6-13,15,29H,1-5H3,(H,27,31)/t15-/m0/s1
InChIKeyJATSICYFNSKSCZ-HNNXBMFYSA-N
MW483.57 g/mol
LogP4.06
Rot. Bonds6

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

4-[(4-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 170648386) has the molecular formula C24H26FN5O3S and a molecular weight of 483.57 g/mol. Its IUPAC name is 4-[(4-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(4-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
PubChem CID170648386
Molecular FormulaC24H26FN5O3S
Molecular Weight483.57 g/mol
Exact Mass483.17
IUPAC Name4-[(4-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESC[C@H](NC(=O)c1c(NS(=O)(=O)c2ccc(C#N)cc2)c(-c2ccc(F)cc2)nn1C)C(C)(C)C
InChIInChI=1S/C24H26FN5O3S/c1-15(24(2,3)4)27-23(31)22-21(20(28-30(22)5)17-8-10-18(25)11-9-17)29-34(32,33)19-12-6-16(14-26)7-13-19/h6-13,15,29H,1-5H3,(H,27,31)/t15-/m0/s1
InChIKeyJATSICYFNSKSCZ-HNNXBMFYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[(4-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide (CID 170648386) is 4-[(4-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[(4-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[(4-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide is C[C@H](NC(=O)c1c(NS(=O)(=O)c2ccc(C#N)cc2)c(-c2ccc(F)cc2)nn1C)C(C)(C)C.
What is the InChIKey of 4-[(4-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is JATSICYFNSKSCZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H26FN5O3S/c1-15(24(2,3)4)27-23(31)22-21(20(28-30(22)5)17-8-10-18(25)11-9-17)29-34(32,33)19-12-6-16(14-26)7-13-19/h6-13,15,29H,1-5H3,(H,27,31)/t15-/m0/s1.
What are the key properties of 4-[(4-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
4-[(4-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 170648386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).