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

C16H20N2O4S2 — CID 18096876

IUPAC2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC(C)c2cccc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C16H20N2O4S2/c1-11-7-8-12(2)16(9-11)24(21,22)18-13(3)14-5-4-6-15(10-14)23(17,19)20/h4-10,13,18H,1-3H3,(H2,17,19,20)
InChIKeyRCGCGQOKCBIQRB-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.99
Rot. Bonds5

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

2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide (PubChem CID 18096876) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
PubChem CID18096876
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Name2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC(C)c2cccc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C16H20N2O4S2/c1-11-7-8-12(2)16(9-11)24(21,22)18-13(3)14-5-4-6-15(10-14)23(17,19)20/h4-10,13,18H,1-3H3,(H2,17,19,20)
InChIKeyRCGCGQOKCBIQRB-UHFFFAOYSA-N
XLogP1.99
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-methylsulfonyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 55904615
2,3,5,6-tetramethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 51249257
3-[1-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 51249256
3,5-difluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 51278324
3-[1-(3,4-dimethylanilino)ethyl]benzenesulfonamide
CID 43761911
3-[1-(2-chloro-5-methylanilino)ethyl]benzenesulfonamide
CID 103936671
5-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 61106723
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-(propylamino)ethyl]benzenesulfonamide
CID 43506958
N-(2,4-dimethylpentan-3-yl)-2,5-dimethylbenzenesulfonamide
CID 53289057

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide (CID 18096876) is 2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NC(C)c2cccc(S(N)(=O)=O)c2)c1.
What is the InChIKey of 2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide?
The InChIKey is RCGCGQOKCBIQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-11-7-8-12(2)16(9-11)24(21,22)18-13(3)14-5-4-6-15(10-14)23(17,19)20/h4-10,13,18H,1-3H3,(H2,17,19,20).
What are the key properties of 2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide?
2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide has a molecular weight of 368.48 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 18096876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).