N-(2-tert-butyl-4-pyridinyl)benzenesulfonamide

C15H18N2O2S — CID 110444579

IUPACN-(2-tert-butyl-4-pyridinyl)benzenesulfonamide
SMILESCC(C)(C)c1cc(NS(=O)(=O)c2ccccc2)ccn1
InChIInChI=1S/C15H18N2O2S/c1-15(2,3)14-11-12(9-10-16-14)17-20(18,19)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,16,17)
InChIKeyLHCIRORSINNDDH-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.18
Rot. Bonds3

About N-(2-tert-butyl-4-pyridinyl)benzenesulfonamide

N-(2-tert-butyl-4-pyridinyl)benzenesulfonamide (PubChem CID 110444579) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(2-tert-butyl-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-tert-butyl-4-pyridinyl)benzenesulfonamide
PubChem CID110444579
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-(2-tert-butyl-4-pyridinyl)benzenesulfonamide
SMILESCC(C)(C)c1cc(NS(=O)(=O)c2ccccc2)ccn1
InChIInChI=1S/C15H18N2O2S/c1-15(2,3)14-11-12(9-10-16-14)17-20(18,19)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,16,17)
InChIKeyLHCIRORSINNDDH-UHFFFAOYSA-N
XLogP3.18
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-quinoxalin-6-ylbenzenesulfonamide
CID 3860445
N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 3288654
4-(benzenesulfonamido)-N-propylpyridine-2-carboxamide
CID 118572876
N-[3-tert-butyl-1-(pyridin-2-ylmethyl)pyrazol-5-yl]benzenesulfonamide
CID 166435921
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
4-(benzenesulfonamido)-2-methylbenzenesulfonamide
CID 43246869
2-methyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955887
ethane;N-quinolin-3-ylbenzenesulfonamide
CID 90950237
4-tert-butyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide
CID 3856814
N-[6-(ethylamino)-3-pyridinyl]benzenesulfonamide
CID 71038447
N-[3-(benzenesulfonyl)-4-(dimethylamino)phenyl]benzenesulfonamide
CID 122375489
4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683562

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-4-pyridinyl)benzenesulfonamide?
The IUPAC name of N-(2-tert-butyl-4-pyridinyl)benzenesulfonamide (CID 110444579) is N-(2-tert-butyl-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for N-(2-tert-butyl-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for N-(2-tert-butyl-4-pyridinyl)benzenesulfonamide is CC(C)(C)c1cc(NS(=O)(=O)c2ccccc2)ccn1.
What is the InChIKey of N-(2-tert-butyl-4-pyridinyl)benzenesulfonamide?
The InChIKey is LHCIRORSINNDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-15(2,3)14-11-12(9-10-16-14)17-20(18,19)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,16,17).
What are the key properties of N-(2-tert-butyl-4-pyridinyl)benzenesulfonamide?
N-(2-tert-butyl-4-pyridinyl)benzenesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 110444579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).