N-[3-tert-butyl-1-(pyridin-2-ylmethyl)pyrazol-5-yl]benzenesulfonamide

C19H22N4O2S — CID 166435921

IUPACN-[3-tert-butyl-1-(pyridin-2-ylmethyl)pyrazol-5-yl]benzenesulfonamide
SMILESCC(C)(C)c1cc(NS(=O)(=O)c2ccccc2)n(Cc2ccccn2)n1
InChIInChI=1S/C19H22N4O2S/c1-19(2,3)17-13-18(22-26(24,25)16-10-5-4-6-11-16)23(21-17)14-15-9-7-8-12-20-15/h4-13,22H,14H2,1-3H3
InChIKeyNKRZPEOEGQWPAC-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.42
Rot. Bonds5

About N-[3-tert-butyl-1-(pyridin-2-ylmethyl)pyrazol-5-yl]benzenesulfonamide

N-[3-tert-butyl-1-(pyridin-2-ylmethyl)pyrazol-5-yl]benzenesulfonamide (PubChem CID 166435921) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(pyridin-2-ylmethyl)pyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-tert-butyl-1-(pyridin-2-ylmethyl)pyrazol-5-yl]benzenesulfonamide
PubChem CID166435921
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-[3-tert-butyl-1-(pyridin-2-ylmethyl)pyrazol-5-yl]benzenesulfonamide
SMILESCC(C)(C)c1cc(NS(=O)(=O)c2ccccc2)n(Cc2ccccn2)n1
InChIInChI=1S/C19H22N4O2S/c1-19(2,3)17-13-18(22-26(24,25)16-10-5-4-6-11-16)23(21-17)14-15-9-7-8-12-20-15/h4-13,22H,14H2,1-3H3
InChIKeyNKRZPEOEGQWPAC-UHFFFAOYSA-N
XLogP3.42
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dibromonickel;2-[(3,5-ditert-butylpyrazol-1-yl)methyl]pyridine
CID 139241709
6-tert-butyl-2-(pyridin-2-ylmethyl)pyridazin-3-one
CID 126853156
N-(2-tert-butyl-4-pyridinyl)benzenesulfonamide
CID 110444579
N-(2-benzyl-5-methylpyrazol-3-yl)-4-tert-butylbenzenesulfonamide
CID 39854251
N-(2-benzyl-5-methylpyrazol-3-yl)-4-methylbenzenesulfonamide
CID 13219968
2-(3,5-ditert-butylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 102218014
N-(2-ethylpyrazol-3-yl)benzenesulfonamide
CID 3280271
4-tert-butyl-N-[7-chloro-1,3-dioxo-2-(pyridin-2-ylmethyl)isoindol-4-yl]benzenesulfonamide
CID 118204692
4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683562
4-ethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112982965
N-(3-tert-butyl-1-methylpyrazol-5-yl)naphthalene-1-sulfonamide
CID 5220322
N-(benzenesulfonyl)-3-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]pyrazole-5-carboxamide
CID 121250562

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-1-(pyridin-2-ylmethyl)pyrazol-5-yl]benzenesulfonamide?
The IUPAC name of N-[3-tert-butyl-1-(pyridin-2-ylmethyl)pyrazol-5-yl]benzenesulfonamide (CID 166435921) is N-[3-tert-butyl-1-(pyridin-2-ylmethyl)pyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-tert-butyl-1-(pyridin-2-ylmethyl)pyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-[3-tert-butyl-1-(pyridin-2-ylmethyl)pyrazol-5-yl]benzenesulfonamide is CC(C)(C)c1cc(NS(=O)(=O)c2ccccc2)n(Cc2ccccn2)n1.
What is the InChIKey of N-[3-tert-butyl-1-(pyridin-2-ylmethyl)pyrazol-5-yl]benzenesulfonamide?
The InChIKey is NKRZPEOEGQWPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-19(2,3)17-13-18(22-26(24,25)16-10-5-4-6-11-16)23(21-17)14-15-9-7-8-12-20-15/h4-13,22H,14H2,1-3H3.
What are the key properties of N-[3-tert-butyl-1-(pyridin-2-ylmethyl)pyrazol-5-yl]benzenesulfonamide?
N-[3-tert-butyl-1-(pyridin-2-ylmethyl)pyrazol-5-yl]benzenesulfonamide has a molecular weight of 370.48 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-1-(pyridin-2-ylmethyl)pyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 166435921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).