2,3,5,6-tetramethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide

C18H24N2O4S2 — CID 51249257

IUPAC2,3,5,6-tetramethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NC(C)c2cccc(S(N)(=O)=O)c2)c1C
InChIInChI=1S/C18H24N2O4S2/c1-11-9-12(2)14(4)18(13(11)3)26(23,24)20-15(5)16-7-6-8-17(10-16)25(19,21)22/h6-10,15,20H,1-5H3,(H2,19,21,22)
InChIKeyYXVUJEKROCZVIP-UHFFFAOYSA-N
MW396.53 g/mol
LogP2.61
Rot. Bonds5

About 2,3,5,6-tetramethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide

2,3,5,6-tetramethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide (PubChem CID 51249257) has the molecular formula C18H24N2O4S2 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
PubChem CID51249257
Molecular FormulaC18H24N2O4S2
Molecular Weight396.53 g/mol
Exact Mass396.12
IUPAC Name2,3,5,6-tetramethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NC(C)c2cccc(S(N)(=O)=O)c2)c1C
InChIInChI=1S/C18H24N2O4S2/c1-11-9-12(2)14(4)18(13(11)3)26(23,24)20-15(5)16-7-6-8-17(10-16)25(19,21)22/h6-10,15,20H,1-5H3,(H2,19,21,22)
InChIKeyYXVUJEKROCZVIP-UHFFFAOYSA-N
XLogP2.61
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,3,5,6-tetramethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide
CID 19680818
2-methyl-5-methylsulfonyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 55904615
2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 18096876
3-[1-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 51249256
3,5-difluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 51278324
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide
CID 81351259
1-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide
CID 55903082
3-[1-(3,4-dimethylanilino)ethyl]benzenesulfonamide
CID 43761911
3-[1-(cyclopropylsulfamoylamino)ethyl]benzenesulfonamide
CID 104538405
3-N-[(1S)-1-(4-fluorophenyl)ethyl]benzene-1,3-disulfonamide
CID 30286902
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 38255503

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide (CID 51249257) is 2,3,5,6-tetramethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)NC(C)c2cccc(S(N)(=O)=O)c2)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide?
The InChIKey is YXVUJEKROCZVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S2/c1-11-9-12(2)14(4)18(13(11)3)26(23,24)20-15(5)16-7-6-8-17(10-16)25(19,21)22/h6-10,15,20H,1-5H3,(H2,19,21,22).
What are the key properties of 2,3,5,6-tetramethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide?
2,3,5,6-tetramethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide has a molecular weight of 396.53 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 51249257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).