4-tert-butyl-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide

C19H24N2O2S — CID 112980197

IUPAC4-tert-butyl-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide
SMILESC=CCNc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H24N2O2S/c1-5-14-20-16-8-10-17(11-9-16)21-24(22,23)18-12-6-15(7-13-18)19(2,3)4/h5-13,20-21H,1,14H2,2-4H3
InChIKeyRDUAVHNCNGWZIN-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.38
Rot. Bonds6

About 4-tert-butyl-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide

4-tert-butyl-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide (PubChem CID 112980197) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide
PubChem CID112980197
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name4-tert-butyl-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide
SMILESC=CCNc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H24N2O2S/c1-5-14-20-16-8-10-17(11-9-16)21-24(22,23)18-12-6-15(7-13-18)19(2,3)4/h5-13,20-21H,1,14H2,2-4H3
InChIKeyRDUAVHNCNGWZIN-UHFFFAOYSA-N
XLogP4.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-[4-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 2486227
4-tert-butyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 5185775
4-tert-butyl-N-[4-[3-(dimethylamino)propylamino]phenyl]benzenesulfonamide
CID 112981608
3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide
CID 112980172
N-[4-(prop-2-enylamino)phenyl]ethanesulfonamide
CID 112980149
4-tert-butyl-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 25036783
5-methyl-N-[4-(prop-2-enylamino)phenyl]thiophene-2-sulfonamide
CID 112980180
1-[4-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 50826798
1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-(4-tert-butylphenyl)urea
CID 46882305
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-tert-butylbenzenesulfonamide
CID 19684568
2-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]acetate
CID 6978471
4-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 94622380

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide (CID 112980197) is 4-tert-butyl-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide is C=CCNc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide?
The InChIKey is RDUAVHNCNGWZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-5-14-20-16-8-10-17(11-9-16)21-24(22,23)18-12-6-15(7-13-18)19(2,3)4/h5-13,20-21H,1,14H2,2-4H3.
What are the key properties of 4-tert-butyl-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide?
4-tert-butyl-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide has a molecular weight of 344.48 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 112980197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).