5-tert-butyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)benzenesulfonamide

C20H28N2O2S — CID 4915934

IUPAC5-tert-butyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCC(C)c1ccc(C(C)(C)C)cc1S(=O)(=O)NCCc1ccncc1
InChIInChI=1S/C20H28N2O2S/c1-15(2)18-7-6-17(20(3,4)5)14-19(18)25(23,24)22-13-10-16-8-11-21-12-9-16/h6-9,11-12,14-15,22H,10,13H2,1-5H3
InChIKeyUSKDCTLNJLRBTR-UHFFFAOYSA-N
MW360.52 g/mol
LogP4.02
Rot. Bonds6

About 5-tert-butyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)benzenesulfonamide

5-tert-butyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)benzenesulfonamide (PubChem CID 4915934) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is 5-tert-butyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-tert-butyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
PubChem CID4915934
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC Name5-tert-butyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCC(C)c1ccc(C(C)(C)C)cc1S(=O)(=O)NCCc1ccncc1
InChIInChI=1S/C20H28N2O2S/c1-15(2)18-7-6-17(20(3,4)5)14-19(18)25(23,24)22-13-10-16-8-11-21-12-9-16/h6-9,11-12,14-15,22H,10,13H2,1-5H3
InChIKeyUSKDCTLNJLRBTR-UHFFFAOYSA-N
XLogP4.02
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-pyridin-4-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3758461
5-amino-2-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 60914924
4-chloro-2,5-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 3747457
4-fluoro-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 107326770
N-(2-pyridin-4-ylethyl)butane-2-sulfonamide
CID 70596181
2-(ethylamino)-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 62147752
5-(benzenesulfonyl)-N-(2-phenylethyl)-2,4-di(propan-2-yl)benzenesulfonamide
CID 57430176
5-amino-2-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 65206667
2-amino-4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 60914928
2-amino-4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 64899992
2-(2-pyridin-4-ylethylsulfamoyl)propanoic acid
CID 54947129
4-(2-pyridin-4-ylethylsulfamoyl)benzoic acid
CID 60915127

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 5-tert-butyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)benzenesulfonamide (CID 4915934) is 5-tert-butyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-tert-butyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-tert-butyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)benzenesulfonamide is CC(C)c1ccc(C(C)(C)C)cc1S(=O)(=O)NCCc1ccncc1.
What is the InChIKey of 5-tert-butyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The InChIKey is USKDCTLNJLRBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S/c1-15(2)18-7-6-17(20(3,4)5)14-19(18)25(23,24)22-13-10-16-8-11-21-12-9-16/h6-9,11-12,14-15,22H,10,13H2,1-5H3.
What are the key properties of 5-tert-butyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
5-tert-butyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)benzenesulfonamide has a molecular weight of 360.52 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 4915934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).