4-tert-butyl-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide

C22H30N2O6S2 — CID 26952024

IUPAC4-tert-butyl-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H30N2O6S2/c1-5-30-21-11-10-19(32(27,28)24-12-14-29-15-13-24)16-20(21)23-31(25,26)18-8-6-17(7-9-18)22(2,3)4/h6-11,16,23H,5,12-15H2,1-4H3
InChIKeyKNLPRXYAYSHCJK-UHFFFAOYSA-N
MW482.62 g/mol
LogP3.20
Rot. Bonds7

About 4-tert-butyl-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide

4-tert-butyl-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide (PubChem CID 26952024) has the molecular formula C22H30N2O6S2 and a molecular weight of 482.62 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
PubChem CID26952024
Molecular FormulaC22H30N2O6S2
Molecular Weight482.62 g/mol
Exact Mass482.15
IUPAC Name4-tert-butyl-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H30N2O6S2/c1-5-30-21-11-10-19(32(27,28)24-12-14-29-15-13-24)16-20(21)23-31(25,26)18-8-6-17(7-9-18)22(2,3)4/h6-11,16,23H,5,12-15H2,1-4H3
InChIKeyKNLPRXYAYSHCJK-UHFFFAOYSA-N
XLogP3.20
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.62
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylbutanamide
CID 46511351
2-ethoxy-5-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)aniline
CID 112811153
(2S)-2-amino-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride
CID 119268074
2-(2,6-dichlorophenyl)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 4881777
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybenzenesulfonamide
CID 28579503
1-(3-tert-butyl-4-ethoxyphenyl)sulfonylpyrrolidine
CID 9266602
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-fluorophenyl)acetamide
CID 8502005
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2,6-difluorobenzamide
CID 26892844
2-(2-ethoxy-5-morpholin-4-ylsulfonylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 55502727
5-chloro-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 39802239
5-tert-butyl-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-methylbenzenesulfonamide
CID 5067278
2-(2-ethoxy-5-morpholin-4-ylsulfonylanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 31690064

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide (CID 26952024) is 4-tert-butyl-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The InChIKey is KNLPRXYAYSHCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O6S2/c1-5-30-21-11-10-19(32(27,28)24-12-14-29-15-13-24)16-20(21)23-31(25,26)18-8-6-17(7-9-18)22(2,3)4/h6-11,16,23H,5,12-15H2,1-4H3.
What are the key properties of 4-tert-butyl-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
4-tert-butyl-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide has a molecular weight of 482.62 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 26952024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).