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

CID 88909110
CID 88909110
4-tert-butyl-N-(5-chloro-2-ethyl-3-pyridinyl)benzenesulfonamide
CID 173104693
4-tert-butyl-N-(5-chloro-2-imidazo[4,5-b]pyridin-3-yl-3-pyridinyl)benzenesulfonamide
CID 25134464
4-tert-butyl-N-(5-chloro-2-imidazo[4,5-b]pyridin-1-yl-3-pyridinyl)benzenesulfonamide
CID 25134463
4-tert-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide
CID 25134743
N-[2-(5-aminopyrrolo[3,2-b]pyridin-1-yl)-5-chloro-3-pyridinyl]-4-tert-butylbenzenesulfonamide
CID 25134465
2-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloropyridine-2-carbonyl]benzoate
CID 143610397
4-tert-butyl-N-[5-chloro-2-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]benzenesulfonamide
CID 24804598
4-tert-butyl-N-[5-chloro-2-[5-(2-hydroxypropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide
CID 24804444
N-[1-[(3E,5E)-6-amino-3-[(4-tert-butylphenyl)sulfonylamino]-5-chlorohexa-1,3,5-trien-2-yl]pyrazol-4-yl]acetamide
CID 89199744
N-[4-[(4-tert-butyl-2-chlorophenyl)sulfamoyl]-2-chlorophenyl]acetamide
CID 3817725
2-[(4-tert-butylphenyl)sulfonylamino]-5-chlorobenzoyl chloride
CID 86618346

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).