N-[1-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-2-pyridinyl]pyrazol-4-yl]acetamide

C20H22ClN5O3S — CID 59428132

IUPACN-[1-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-2-pyridinyl]pyrazol-4-yl]acetamide
SMILESCC(=O)Nc1cnn(-c2ncc(Cl)cc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C20H22ClN5O3S/c1-13(27)24-16-11-23-26(12-16)19-18(9-15(21)10-22-19)25-30(28,29)17-7-5-14(6-8-17)20(2,3)4/h5-12,25H,1-4H3,(H,24,27)
InChIKeyGWNCTGWBVLTORB-UHFFFAOYSA-N
MW447.95 g/mol
LogP3.98
Rot. Bonds5

About N-[1-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-2-pyridinyl]pyrazol-4-yl]acetamide

N-[1-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-2-pyridinyl]pyrazol-4-yl]acetamide (PubChem CID 59428132) has the molecular formula C20H22ClN5O3S and a molecular weight of 447.95 g/mol. Its IUPAC name is N-[1-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-2-pyridinyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-2-pyridinyl]pyrazol-4-yl]acetamide
PubChem CID59428132
Molecular FormulaC20H22ClN5O3S
Molecular Weight447.95 g/mol
Exact Mass447.11
IUPAC NameN-[1-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-2-pyridinyl]pyrazol-4-yl]acetamide
SMILESCC(=O)Nc1cnn(-c2ncc(Cl)cc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C20H22ClN5O3S/c1-13(27)24-16-11-23-26(12-16)19-18(9-15(21)10-22-19)25-30(28,29)17-7-5-14(6-8-17)20(2,3)4/h5-12,25H,1-4H3,(H,24,27)
InChIKeyGWNCTGWBVLTORB-UHFFFAOYSA-N
XLogP3.98
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.95
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Zelenirstat
CID 58561243
Ddd-85646
CID 44199337
2,6-bis(chloranyl)-4-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 46179032
2,6-Dichloro-4-(6-Piperazin-1-Ylpyridin-3-Yl)-N-(1,3,5-Trimethyl-1h-Pyrazol-4-Yl)benzenesulfonamide
CID 54669607
US9156811, Ddd86475
CID 58561246
US9156811, Ddd88193
CID 58561114
US9156811, Ddd87763
CID 58561340
US9156811, Ddd87993
CID 58561346
US9156811, Ddd86478
CID 58561372
US9156811, Ddd86467
CID 67186929
US9156811, Ddd86206
CID 46179031
US9156811, Ddd87748
CID 58561108

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-2-pyridinyl]pyrazol-4-yl]acetamide?
The IUPAC name of N-[1-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-2-pyridinyl]pyrazol-4-yl]acetamide (CID 59428132) is N-[1-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-2-pyridinyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[1-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-2-pyridinyl]pyrazol-4-yl]acetamide?
The canonical SMILES for N-[1-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-2-pyridinyl]pyrazol-4-yl]acetamide is CC(=O)Nc1cnn(-c2ncc(Cl)cc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-[1-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-2-pyridinyl]pyrazol-4-yl]acetamide?
The InChIKey is GWNCTGWBVLTORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O3S/c1-13(27)24-16-11-23-26(12-16)19-18(9-15(21)10-22-19)25-30(28,29)17-7-5-14(6-8-17)20(2,3)4/h5-12,25H,1-4H3,(H,24,27).
What are the key properties of N-[1-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-2-pyridinyl]pyrazol-4-yl]acetamide?
N-[1-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-2-pyridinyl]pyrazol-4-yl]acetamide has a molecular weight of 447.95 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-2-pyridinyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 59428132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).