N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide

C20H26N2O5S2 — CID 5105845

IUPACN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H26N2O5S2/c1-15(2)17-5-8-19(9-6-17)28(23,24)21-18-7-4-16(3)20(14-18)29(25,26)22-10-12-27-13-11-22/h4-9,14-15,21H,10-13H2,1-3H3
InChIKeyASXNWLHDNRTZIG-UHFFFAOYSA-N
MW438.57 g/mol
LogP2.94
Rot. Bonds6

About N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 5105845) has the molecular formula C20H26N2O5S2 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide
PubChem CID5105845
Molecular FormulaC20H26N2O5S2
Molecular Weight438.57 g/mol
Exact Mass438.13
IUPAC NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H26N2O5S2/c1-15(2)17-5-8-19(9-6-17)28(23,24)21-18-7-4-16(3)20(14-18)29(25,26)22-10-12-27-13-11-22/h4-9,14-15,21H,10-13H2,1-3H3
InChIKeyASXNWLHDNRTZIG-UHFFFAOYSA-N
XLogP2.94
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide (CID 5105845) is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is ASXNWLHDNRTZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S2/c1-15(2)17-5-8-19(9-6-17)28(23,24)21-18-7-4-16(3)20(14-18)29(25,26)22-10-12-27-13-11-22/h4-9,14-15,21H,10-13H2,1-3H3.
What are the key properties of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide?
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 438.57 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 5105845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).