4-(butylsulfonylamino)-3-ethyl-5-methylbenzenesulfonamide

C13H22N2O4S2 — CID 43246862

IUPAC4-(butylsulfonylamino)-3-ethyl-5-methylbenzenesulfonamide
SMILESCCCCS(=O)(=O)Nc1c(C)cc(S(N)(=O)=O)cc1CC
InChIInChI=1S/C13H22N2O4S2/c1-4-6-7-20(16,17)15-13-10(3)8-12(21(14,18)19)9-11(13)5-2/h8-9,15H,4-7H2,1-3H3,(H2,14,18,19)
InChIKeyVAKDXKKWLHKTJQ-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.75
Rot. Bonds7

About 4-(butylsulfonylamino)-3-ethyl-5-methylbenzenesulfonamide

4-(butylsulfonylamino)-3-ethyl-5-methylbenzenesulfonamide (PubChem CID 43246862) has the molecular formula C13H22N2O4S2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 4-(butylsulfonylamino)-3-ethyl-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(butylsulfonylamino)-3-ethyl-5-methylbenzenesulfonamide
PubChem CID43246862
Molecular FormulaC13H22N2O4S2
Molecular Weight334.46 g/mol
Exact Mass334.10
IUPAC Name4-(butylsulfonylamino)-3-ethyl-5-methylbenzenesulfonamide
SMILESCCCCS(=O)(=O)Nc1c(C)cc(S(N)(=O)=O)cc1CC
InChIInChI=1S/C13H22N2O4S2/c1-4-6-7-20(16,17)15-13-10(3)8-12(21(14,18)19)9-11(13)5-2/h8-9,15H,4-7H2,1-3H3,(H2,14,18,19)
InChIKeyVAKDXKKWLHKTJQ-UHFFFAOYSA-N
XLogP1.75
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(butylsulfonylamino)-3-methylbenzenesulfonamide
CID 43246859
2-ethyl-N-(2-ethyl-6-methyl-4-sulfamoylphenyl)butanamide
CID 43133984
N-(2-ethyl-6-methyl-4-sulfamoylphenyl)cyclopropanecarboxamide
CID 43246565
3-chloro-4-(2-methoxyethylsulfonylamino)-5-methylbenzenesulfonamide
CID 66256597
N-(2,6-diethyl-4-sulfamoylphenyl)acetamide
CID 2726107
4-(cyclopropylmethylsulfonylamino)-3-ethyl-5-methylbenzenesulfonyl chloride
CID 64987816
4-(butylsulfonylamino)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 22202772
N-(2,6-diethyl-4-sulfamoylphenyl)propanamide
CID 2726194
N-(3-hydroxy-4-methylphenyl)butane-1-sulfonamide
CID 64794580
3,5-dimethyl-4-(propan-2-ylsulfonylamino)benzenesulfonamide
CID 60864212
3-(butylsulfonylamino)-2-methoxy-5-methylbenzenesulfonamide
CID 43246882
N-(2-bromo-6-chloro-4-fluorophenyl)butane-1-sulfonamide
CID 107095513

Frequently Asked Questions

What is the IUPAC name of 4-(butylsulfonylamino)-3-ethyl-5-methylbenzenesulfonamide?
The IUPAC name of 4-(butylsulfonylamino)-3-ethyl-5-methylbenzenesulfonamide (CID 43246862) is 4-(butylsulfonylamino)-3-ethyl-5-methylbenzenesulfonamide.
What is the SMILES notation for 4-(butylsulfonylamino)-3-ethyl-5-methylbenzenesulfonamide?
The canonical SMILES for 4-(butylsulfonylamino)-3-ethyl-5-methylbenzenesulfonamide is CCCCS(=O)(=O)Nc1c(C)cc(S(N)(=O)=O)cc1CC.
What is the InChIKey of 4-(butylsulfonylamino)-3-ethyl-5-methylbenzenesulfonamide?
The InChIKey is VAKDXKKWLHKTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S2/c1-4-6-7-20(16,17)15-13-10(3)8-12(21(14,18)19)9-11(13)5-2/h8-9,15H,4-7H2,1-3H3,(H2,14,18,19).
What are the key properties of 4-(butylsulfonylamino)-3-ethyl-5-methylbenzenesulfonamide?
4-(butylsulfonylamino)-3-ethyl-5-methylbenzenesulfonamide has a molecular weight of 334.46 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylsulfonylamino)-3-ethyl-5-methylbenzenesulfonamide is sourced from PubChem (CID 43246862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).