2,4,6-trimethyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide

C21H28N2O5S2 — CID 30126027

IUPAC2,4,6-trimethyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1
InChIInChI=1S/C21H28N2O5S2/c1-16-14-17(2)21(18(3)15-16)29(24,25)22-9-8-19-4-6-20(7-5-19)30(26,27)23-10-12-28-13-11-23/h4-7,14-15,22H,8-13H2,1-3H3
InChIKeyZPDNZMBRUXQQRR-UHFFFAOYSA-N
MW452.60 g/mol
LogP2.15
Rot. Bonds7

About 2,4,6-trimethyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide

2,4,6-trimethyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide (PubChem CID 30126027) has the molecular formula C21H28N2O5S2 and a molecular weight of 452.60 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide
PubChem CID30126027
Molecular FormulaC21H28N2O5S2
Molecular Weight452.60 g/mol
Exact Mass452.14
IUPAC Name2,4,6-trimethyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1
InChIInChI=1S/C21H28N2O5S2/c1-16-14-17(2)21(18(3)15-16)29(24,25)22-9-8-19-4-6-20(7-5-19)30(26,27)23-10-12-28-13-11-23/h4-7,14-15,22H,8-13H2,1-3H3
InChIKeyZPDNZMBRUXQQRR-UHFFFAOYSA-N
XLogP2.15
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,6-trimethyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide
CID 30126020
5-chloro-2-ethoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide
CID 30126282
N-ethyl-4-methoxy-3-[2-(4-morpholin-4-ylsulfonylphenyl)ethylsulfamoyl]benzamide
CID 30126350
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
N'-(3,4-dimethylphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
CID 30126882
2,2-dimethyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]propanamide
CID 108736609
N-[2-(ethylamino)ethyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 119973419
4-methoxy-3-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide
CID 30126227
4-(4-hexylphenyl)sulfonylmorpholine
CID 84557725
4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(2-phenylethylsulfamoyl)benzamide
CID 43875221
N-[3-(methylamino)propyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride
CID 119964630
N-[2-(ethylamino)ethyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride
CID 119973418

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide (CID 30126027) is 2,4,6-trimethyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide?
The InChIKey is ZPDNZMBRUXQQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S2/c1-16-14-17(2)21(18(3)15-16)29(24,25)22-9-8-19-4-6-20(7-5-19)30(26,27)23-10-12-28-13-11-23/h4-7,14-15,22H,8-13H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide?
2,4,6-trimethyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide has a molecular weight of 452.60 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 30126027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).