4-tert-butyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide

C22H24N2O2S — CID 2411471

IUPAC4-tert-butyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1
InChIInChI=1S/C22H24N2O2S/c1-22(2,3)19-6-10-21(11-7-19)27(25,26)24-20-8-4-17(5-9-20)16-18-12-14-23-15-13-18/h4-15,24H,16H2,1-3H3
InChIKeyXMXGZTNFEREQAC-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.77
Rot. Bonds5

About 4-tert-butyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide

4-tert-butyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide (PubChem CID 2411471) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide
PubChem CID2411471
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name4-tert-butyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1
InChIInChI=1S/C22H24N2O2S/c1-22(2,3)19-6-10-21(11-7-19)27(25,26)24-20-8-4-17(5-9-20)16-18-12-14-23-15-13-18/h4-15,24H,16H2,1-3H3
InChIKeyXMXGZTNFEREQAC-UHFFFAOYSA-N
XLogP4.77
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2R)-2-[2-(benzenesulfonamido)ethyl]-N-methyl-1-pyridin-3-ylcyclohexane-1-carbothioamide
CID 9823280
4-Methyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 731623
4-Methyl-N-pyridin-3-YL-benzenesulfonamide
CID 757406
4-(3-Quinolinyl)-Benzenesulfonamide
CID 122707123
1-N-(4-Sulfamoylphenyl-ethyl)-2,4,6-trimethylpyridinium
CID 5289159
BM-960102
CID 819349
1-(p-Toluenesulfonyl)tryptamine
CID 14571158
N-(2-chloro-5-phenyl-3-pyridinyl)benzenesulfonamide
CID 25266674
4-Pyridin-3-ylbenzenesulfonamide
CID 110453853
4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 24884859
2,4,6-trimethyl-N-(3-pyridinylmethyl)benzenesulfonamide
CID 676052
4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 795996

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide (CID 2411471) is 4-tert-butyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide?
The InChIKey is XMXGZTNFEREQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-22(2,3)19-6-10-21(11-7-19)27(25,26)24-20-8-4-17(5-9-20)16-18-12-14-23-15-13-18/h4-15,24H,16H2,1-3H3.
What are the key properties of 4-tert-butyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide?
4-tert-butyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide has a molecular weight of 380.51 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2411471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).