N,N-dimethyl-3-(propan-2-ylsulfonylamino)benzenesulfonamide

C11H18N2O4S2 — CID 63000001

IUPACN,N-dimethyl-3-(propan-2-ylsulfonylamino)benzenesulfonamide
SMILESCC(C)S(=O)(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C11H18N2O4S2/c1-9(2)18(14,15)12-10-6-5-7-11(8-10)19(16,17)13(3)4/h5-9,12H,1-4H3
InChIKeyDAHLUBNYIUKCOA-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.09
Rot. Bonds5

About N,N-dimethyl-3-(propan-2-ylsulfonylamino)benzenesulfonamide

N,N-dimethyl-3-(propan-2-ylsulfonylamino)benzenesulfonamide (PubChem CID 63000001) has the molecular formula C11H18N2O4S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N,N-dimethyl-3-(propan-2-ylsulfonylamino)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(propan-2-ylsulfonylamino)benzenesulfonamide
PubChem CID63000001
Molecular FormulaC11H18N2O4S2
Molecular Weight306.41 g/mol
Exact Mass306.07
IUPAC NameN,N-dimethyl-3-(propan-2-ylsulfonylamino)benzenesulfonamide
SMILESCC(C)S(=O)(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C11H18N2O4S2/c1-9(2)18(14,15)12-10-6-5-7-11(8-10)19(16,17)13(3)4/h5-9,12H,1-4H3
InChIKeyDAHLUBNYIUKCOA-UHFFFAOYSA-N
XLogP1.09
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N,3-N-dimethyl-1-N-phenylbenzene-1,3-disulfonamide
CID 25331317
N,N-dimethyl-3-[(3-propan-2-ylcyclobutyl)amino]benzenesulfonamide
CID 103561319
N-(3-nitrophenyl)propane-2-sulfonamide
CID 62998710
3-(hexan-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 43784811
3-[[3-(dimethylsulfamoyl)phenyl]sulfamoyl]propanoic acid
CID 43361776
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-(2-fluorophenyl)sulfanylpropanamide
CID 7964995
N-[3-(dimethylsulfamoyl)phenyl]-1H-pyrazole-5-sulfonamide
CID 102691736
3-(heptylamino)-N,N-dimethylbenzenesulfonamide
CID 43715567
N,N-dimethylazulene-5-sulfonamide
CID 67469153
N-[3-(dimethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119672946
1-[3-(dimethylsulfamoyl)phenyl]-3-(2-methylpropyl)thiourea
CID 8626970
3-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide
CID 43715534

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(propan-2-ylsulfonylamino)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-(propan-2-ylsulfonylamino)benzenesulfonamide (CID 63000001) is N,N-dimethyl-3-(propan-2-ylsulfonylamino)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-(propan-2-ylsulfonylamino)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-(propan-2-ylsulfonylamino)benzenesulfonamide is CC(C)S(=O)(=O)Nc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-(propan-2-ylsulfonylamino)benzenesulfonamide?
The InChIKey is DAHLUBNYIUKCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S2/c1-9(2)18(14,15)12-10-6-5-7-11(8-10)19(16,17)13(3)4/h5-9,12H,1-4H3.
What are the key properties of N,N-dimethyl-3-(propan-2-ylsulfonylamino)benzenesulfonamide?
N,N-dimethyl-3-(propan-2-ylsulfonylamino)benzenesulfonamide has a molecular weight of 306.41 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(propan-2-ylsulfonylamino)benzenesulfonamide is sourced from PubChem (CID 63000001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).