5-tert-butyl-N-ethoxy-2-methylbenzenesulfonamide

C13H21NO3S — CID 115279308

IUPAC5-tert-butyl-N-ethoxy-2-methylbenzenesulfonamide
SMILESCCONS(=O)(=O)c1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C13H21NO3S/c1-6-17-14-18(15,16)12-9-11(13(3,4)5)8-7-10(12)2/h7-9,14H,6H2,1-5H3
InChIKeyPHFKMBKBZWLVRC-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.52
Rot. Bonds4

About 5-tert-butyl-N-ethoxy-2-methylbenzenesulfonamide

5-tert-butyl-N-ethoxy-2-methylbenzenesulfonamide (PubChem CID 115279308) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 5-tert-butyl-N-ethoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-tert-butyl-N-ethoxy-2-methylbenzenesulfonamide
PubChem CID115279308
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name5-tert-butyl-N-ethoxy-2-methylbenzenesulfonamide
SMILESCCONS(=O)(=O)c1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C13H21NO3S/c1-6-17-14-18(15,16)12-9-11(13(3,4)5)8-7-10(12)2/h7-9,14H,6H2,1-5H3
InChIKeyPHFKMBKBZWLVRC-UHFFFAOYSA-N
XLogP2.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-tert-butyl-N-ethoxy-2-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyano-N-ethoxy-2-methylbenzenesulfonamide
CID 64973950
5-tert-butyl-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 7938594
ethyl 4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 30923060
5-tert-butyl-N-(2-hydroxy-3-methoxypropyl)-2-methylbenzenesulfonamide
CID 78967386
methyl 3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]propanoate
CID 78907308
4-tert-butyl-1-methyl-2-methylsulfonylbenzene
CID 123141469
3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 79027133
5-fluoro-2-methyl-N-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 82714803
5-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzenesulfonamide
CID 104858895
(2R)-2-[(5-tert-butyl-2-methylphenyl)sulfonylamino]propanoic acid
CID 78972782
5-tert-butyl-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 7939111
2,5-dibromo-N-ethoxybenzenesulfonamide
CID 60700593

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-ethoxy-2-methylbenzenesulfonamide?
The IUPAC name of 5-tert-butyl-N-ethoxy-2-methylbenzenesulfonamide (CID 115279308) is 5-tert-butyl-N-ethoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-tert-butyl-N-ethoxy-2-methylbenzenesulfonamide?
The canonical SMILES for 5-tert-butyl-N-ethoxy-2-methylbenzenesulfonamide is CCONS(=O)(=O)c1cc(C(C)(C)C)ccc1C.
What is the InChIKey of 5-tert-butyl-N-ethoxy-2-methylbenzenesulfonamide?
The InChIKey is PHFKMBKBZWLVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-6-17-14-18(15,16)12-9-11(13(3,4)5)8-7-10(12)2/h7-9,14H,6H2,1-5H3.
What are the key properties of 5-tert-butyl-N-ethoxy-2-methylbenzenesulfonamide?
5-tert-butyl-N-ethoxy-2-methylbenzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-ethoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 115279308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).