N-[5-(diethylsulfamoyl)-2-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide

C21H30N2O4S2 — CID 5181058

IUPACN-[5-(diethylsulfamoyl)-2-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)c1
InChIInChI=1S/C21H30N2O4S2/c1-8-23(9-2)29(26,27)19-11-10-14(3)20(13-19)22-28(24,25)21-17(6)15(4)12-16(5)18(21)7/h10-13,22H,8-9H2,1-7H3
InChIKeyOCKLJQGFAIJPQH-UHFFFAOYSA-N
MW438.62 g/mol
LogP4.06
Rot. Bonds7

About N-[5-(diethylsulfamoyl)-2-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide

N-[5-(diethylsulfamoyl)-2-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 5181058) has the molecular formula C21H30N2O4S2 and a molecular weight of 438.62 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID5181058
Molecular FormulaC21H30N2O4S2
Molecular Weight438.62 g/mol
Exact Mass438.16
IUPAC NameN-[5-(diethylsulfamoyl)-2-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)c1
InChIInChI=1S/C21H30N2O4S2/c1-8-23(9-2)29(26,27)19-11-10-14(3)20(13-19)22-28(24,25)21-17(6)15(4)12-16(5)18(21)7/h10-13,22H,8-9H2,1-7H3
InChIKeyOCKLJQGFAIJPQH-UHFFFAOYSA-N
XLogP4.06
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.62
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-3-(methanesulfonamido)-4-methylbenzenesulfonamide
CID 167869389
methyl 4-[[5-(diethylsulfamoyl)-2-methylphenyl]sulfamoyl]benzoate
CID 24510131
N,N-diethyl-3,4-dimethyl-5-[(4-methyl-3-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 24580934
3-[(3-cyanophenyl)sulfonylamino]-N,N-diethyl-4-methylbenzenesulfonamide
CID 4835973
N-[2-(4-bromophenoxy)-5-(diethylsulfamoyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 166186892
2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 3606084
1-[5-(diethylsulfamoyl)-2-methylphenyl]-3-methylthiourea
CID 8628352
N-[4-(diethylsulfamoyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 2696950
1-N-(4-chloro-2-methylphenyl)-4-N,4-N-diethylbenzene-1,4-disulfonamide
CID 2681540
4-N,4-N-diethyl-1-N-(4-fluoro-2-methylphenyl)benzene-1,4-disulfonamide
CID 2681633
2,3,5,6-tetramethyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202725
3-(2,2-dicyanoethenylamino)-N,N-diethyl-4-methylbenzenesulfonamide
CID 26485785

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide (CID 5181058) is N-[5-(diethylsulfamoyl)-2-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is OCKLJQGFAIJPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4S2/c1-8-23(9-2)29(26,27)19-11-10-14(3)20(13-19)22-28(24,25)21-17(6)15(4)12-16(5)18(21)7/h10-13,22H,8-9H2,1-7H3.
What are the key properties of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide?
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 438.62 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 5181058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).