2-methyl-4-(propylsulfonylamino)benzenesulfonamide

C10H16N2O4S2 — CID 43134191

IUPAC2-methyl-4-(propylsulfonylamino)benzenesulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(S(N)(=O)=O)c(C)c1
InChIInChI=1S/C10H16N2O4S2/c1-3-6-17(13,14)12-9-4-5-10(8(2)7-9)18(11,15)16/h4-5,7,12H,3,6H2,1-2H3,(H2,11,15,16)
InChIKeyXZTHMFZPJQYYIM-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.79
Rot. Bonds5

About 2-methyl-4-(propylsulfonylamino)benzenesulfonamide

2-methyl-4-(propylsulfonylamino)benzenesulfonamide (PubChem CID 43134191) has the molecular formula C10H16N2O4S2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-methyl-4-(propylsulfonylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-4-(propylsulfonylamino)benzenesulfonamide
PubChem CID43134191
Molecular FormulaC10H16N2O4S2
Molecular Weight292.38 g/mol
Exact Mass292.06
IUPAC Name2-methyl-4-(propylsulfonylamino)benzenesulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(S(N)(=O)=O)c(C)c1
InChIInChI=1S/C10H16N2O4S2/c1-3-6-17(13,14)12-9-4-5-10(8(2)7-9)18(11,15)16/h4-5,7,12H,3,6H2,1-2H3,(H2,11,15,16)
InChIKeyXZTHMFZPJQYYIM-UHFFFAOYSA-N
XLogP0.79
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethoxyethylsulfonylamino)-2-methylbenzenesulfonamide
CID 63246113
2-methyl-4-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide
CID 79592852
2-methyl-4-(methylamino)benzenesulfonamide
CID 71282580
2-bromo-4-(propylsulfonylamino)benzenesulfonyl chloride
CID 43103495
4-(benzenesulfonamido)-2-methylbenzenesulfonamide
CID 43246869
2-methyl-5-(propylsulfonylamino)benzoic acid
CID 63653698
N-(3-hydroxy-4-methylphenyl)butane-1-sulfonamide
CID 64794580
4-(2-ethoxyethylsulfonylamino)-2-fluorobenzenesulfonamide
CID 63246071
N-(4-bromo-3-methylphenyl)-2-(propylamino)ethanesulfonamide
CID 114141110
2,2-dimethyl-N-(3-methyl-4-sulfamoylphenyl)butanamide
CID 62677678
3-amino-N-(3,4-dimethylphenyl)propane-1-sulfonamide
CID 60909550
N-(3,4-dimethylphenyl)-2-(ethylamino)ethanesulfonamide
CID 54973592

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(propylsulfonylamino)benzenesulfonamide?
The IUPAC name of 2-methyl-4-(propylsulfonylamino)benzenesulfonamide (CID 43134191) is 2-methyl-4-(propylsulfonylamino)benzenesulfonamide.
What is the SMILES notation for 2-methyl-4-(propylsulfonylamino)benzenesulfonamide?
The canonical SMILES for 2-methyl-4-(propylsulfonylamino)benzenesulfonamide is CCCS(=O)(=O)Nc1ccc(S(N)(=O)=O)c(C)c1.
What is the InChIKey of 2-methyl-4-(propylsulfonylamino)benzenesulfonamide?
The InChIKey is XZTHMFZPJQYYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S2/c1-3-6-17(13,14)12-9-4-5-10(8(2)7-9)18(11,15)16/h4-5,7,12H,3,6H2,1-2H3,(H2,11,15,16).
What are the key properties of 2-methyl-4-(propylsulfonylamino)benzenesulfonamide?
2-methyl-4-(propylsulfonylamino)benzenesulfonamide has a molecular weight of 292.38 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(propylsulfonylamino)benzenesulfonamide is sourced from PubChem (CID 43134191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).