5-[(4-ethoxyphenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide

C19H26N2O5S2 — CID 35748604

IUPAC5-[(4-ethoxyphenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)cc1
InChIInChI=1S/C19H26N2O5S2/c1-5-21(6-2)28(24,25)19-14-16(9-8-15(19)4)20-27(22,23)18-12-10-17(11-13-18)26-7-3/h8-14,20H,5-7H2,1-4H3
InChIKeyYROJLVLQPPPTAZ-UHFFFAOYSA-N
MW426.56 g/mol
LogP3.23
Rot. Bonds9

About 5-[(4-ethoxyphenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide

5-[(4-ethoxyphenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide (PubChem CID 35748604) has the molecular formula C19H26N2O5S2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 5-[(4-ethoxyphenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(4-ethoxyphenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide
PubChem CID35748604
Molecular FormulaC19H26N2O5S2
Molecular Weight426.56 g/mol
Exact Mass426.13
IUPAC Name5-[(4-ethoxyphenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)cc1
InChIInChI=1S/C19H26N2O5S2/c1-5-21(6-2)28(24,25)19-14-16(9-8-15(19)4)20-27(22,23)18-12-10-17(11-13-18)26-7-3/h8-14,20H,5-7H2,1-4H3
InChIKeyYROJLVLQPPPTAZ-UHFFFAOYSA-N
XLogP3.23
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 2121784
N,N-diethyl-2-methyl-5-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzenesulfonamide
CID 31692130
5-[(4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide
CID 5021993
5-[(4-chloro-3-nitrophenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide
CID 26970860
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
3-[[3-(diethylsulfamoyl)-4-methylphenyl]sulfamoyl]benzoic acid
CID 3917866
N-[4-(diethylsulfamoyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 2696950
4-ethoxy-N-naphthalen-2-ylbenzenesulfonamide
CID 7938656
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 26488410
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
N-(1,3-benzodioxol-5-yl)-4-ethoxybenzenesulfonamide
CID 975650
2,5-dichloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-3-sulfonamide
CID 55365500

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxyphenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide?
The IUPAC name of 5-[(4-ethoxyphenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide (CID 35748604) is 5-[(4-ethoxyphenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-[(4-ethoxyphenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide?
The canonical SMILES for 5-[(4-ethoxyphenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)cc1.
What is the InChIKey of 5-[(4-ethoxyphenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide?
The InChIKey is YROJLVLQPPPTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S2/c1-5-21(6-2)28(24,25)19-14-16(9-8-15(19)4)20-27(22,23)18-12-10-17(11-13-18)26-7-3/h8-14,20H,5-7H2,1-4H3.
What are the key properties of 5-[(4-ethoxyphenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide?
5-[(4-ethoxyphenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide has a molecular weight of 426.56 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxyphenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide is sourced from PubChem (CID 35748604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).