3,5-dimethyl-4-(propan-2-ylsulfonylamino)benzenesulfonamide

C11H18N2O4S2 — CID 60864212

IUPAC3,5-dimethyl-4-(propan-2-ylsulfonylamino)benzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(C)c1NS(=O)(=O)C(C)C
InChIInChI=1S/C11H18N2O4S2/c1-7(2)19(16,17)13-11-8(3)5-10(6-9(11)4)18(12,14)15/h5-7,13H,1-4H3,(H2,12,14,15)
InChIKeySPGVRJWWGVNREA-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.10
Rot. Bonds4

About 3,5-dimethyl-4-(propan-2-ylsulfonylamino)benzenesulfonamide

3,5-dimethyl-4-(propan-2-ylsulfonylamino)benzenesulfonamide (PubChem CID 60864212) has the molecular formula C11H18N2O4S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3,5-dimethyl-4-(propan-2-ylsulfonylamino)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-4-(propan-2-ylsulfonylamino)benzenesulfonamide
PubChem CID60864212
Molecular FormulaC11H18N2O4S2
Molecular Weight306.41 g/mol
Exact Mass306.07
IUPAC Name3,5-dimethyl-4-(propan-2-ylsulfonylamino)benzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(C)c1NS(=O)(=O)C(C)C
InChIInChI=1S/C11H18N2O4S2/c1-7(2)19(16,17)13-11-8(3)5-10(6-9(11)4)18(12,14)15/h5-7,13H,1-4H3,(H2,12,14,15)
InChIKeySPGVRJWWGVNREA-UHFFFAOYSA-N
XLogP1.10
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethyl-4-sulfamoylphenyl)-2-propan-2-yloxyacetamide
CID 113355675
N-(2,6-dimethyl-4-sulfamoylphenyl)-2-ethylbutanamide
CID 43246820
3-(methanesulfonamido)-4,5-dimethylbenzenesulfonamide
CID 60651633
4-chloro-5-methylbenzene-1,3-disulfonamide
CID 134098209
3-bromo-4-chloro-5-methylbenzenesulfonamide
CID 171001910
3,4-dimethyl-5-(5-methylhexan-2-ylamino)benzenesulfonamide
CID 43684712
3,4-dimethyl-5-(2-methylpropylamino)benzenesulfonamide
CID 43684700
4-chloro-3-fluoro-5-methylbenzenesulfonamide
CID 118838881
4-(butylsulfonylamino)-3-ethyl-5-methylbenzenesulfonamide
CID 43246862
2-ethyl-N-(2-ethyl-6-methyl-4-sulfamoylphenyl)butanamide
CID 43133984
N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2-cyclopropylpropanamide
CID 83154243
N-(2,5-dimethylphenyl)propane-2-sulfonamide
CID 62997790

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(propan-2-ylsulfonylamino)benzenesulfonamide?
The IUPAC name of 3,5-dimethyl-4-(propan-2-ylsulfonylamino)benzenesulfonamide (CID 60864212) is 3,5-dimethyl-4-(propan-2-ylsulfonylamino)benzenesulfonamide.
What is the SMILES notation for 3,5-dimethyl-4-(propan-2-ylsulfonylamino)benzenesulfonamide?
The canonical SMILES for 3,5-dimethyl-4-(propan-2-ylsulfonylamino)benzenesulfonamide is Cc1cc(S(N)(=O)=O)cc(C)c1NS(=O)(=O)C(C)C.
What is the InChIKey of 3,5-dimethyl-4-(propan-2-ylsulfonylamino)benzenesulfonamide?
The InChIKey is SPGVRJWWGVNREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S2/c1-7(2)19(16,17)13-11-8(3)5-10(6-9(11)4)18(12,14)15/h5-7,13H,1-4H3,(H2,12,14,15).
What are the key properties of 3,5-dimethyl-4-(propan-2-ylsulfonylamino)benzenesulfonamide?
3,5-dimethyl-4-(propan-2-ylsulfonylamino)benzenesulfonamide has a molecular weight of 306.41 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(propan-2-ylsulfonylamino)benzenesulfonamide is sourced from PubChem (CID 60864212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).