N-methyl-2-(3-methylpentan-2-ylamino)benzenesulfonamide

C13H22N2O2S — CID 43749839

IUPACN-methyl-2-(3-methylpentan-2-ylamino)benzenesulfonamide
SMILESCCC(C)C(C)Nc1ccccc1S(=O)(=O)NC
InChIInChI=1S/C13H22N2O2S/c1-5-10(2)11(3)15-12-8-6-7-9-13(12)18(16,17)14-4/h6-11,14-15H,5H2,1-4H3
InChIKeyQCCGLEYNZOGOHD-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.44
Rot. Bonds6

About N-methyl-2-(3-methylpentan-2-ylamino)benzenesulfonamide

N-methyl-2-(3-methylpentan-2-ylamino)benzenesulfonamide (PubChem CID 43749839) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-methyl-2-(3-methylpentan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-(3-methylpentan-2-ylamino)benzenesulfonamide
PubChem CID43749839
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-methyl-2-(3-methylpentan-2-ylamino)benzenesulfonamide
SMILESCCC(C)C(C)Nc1ccccc1S(=O)(=O)NC
InChIInChI=1S/C13H22N2O2S/c1-5-10(2)11(3)15-12-8-6-7-9-13(12)18(16,17)14-4/h6-11,14-15H,5H2,1-4H3
InChIKeyQCCGLEYNZOGOHD-UHFFFAOYSA-N
XLogP2.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 64596946
2-(hexan-3-ylamino)-N-methylbenzenesulfonamide
CID 62119321
2-(2-methoxypropylamino)-N-methylbenzenesulfonamide
CID 102698834
2-(1-cyclohexylpropylamino)-N-methylbenzenesulfonamide
CID 62406135
N-[2-(3-methylpentan-2-ylamino)phenyl]methanesulfonamide
CID 43743986
N-methyl-2-(octan-2-ylamino)benzenesulfonamide
CID 43749903
N-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide
CID 113282668
2-(pentan-3-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454588
2-[(3-ethyl-2-hydroxypentyl)amino]-N-methylbenzenesulfonamide
CID 106287402
2-(2,2-difluoroethylamino)-N-methylbenzenesulfonamide
CID 115407635
2-[[2-(methylsulfamoyl)anilino]methyl]butanoic acid
CID 65226875
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylbenzenesulfonamide
CID 107441821

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylpentan-2-ylamino)benzenesulfonamide?
The IUPAC name of N-methyl-2-(3-methylpentan-2-ylamino)benzenesulfonamide (CID 43749839) is N-methyl-2-(3-methylpentan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for N-methyl-2-(3-methylpentan-2-ylamino)benzenesulfonamide?
The canonical SMILES for N-methyl-2-(3-methylpentan-2-ylamino)benzenesulfonamide is CCC(C)C(C)Nc1ccccc1S(=O)(=O)NC.
What is the InChIKey of N-methyl-2-(3-methylpentan-2-ylamino)benzenesulfonamide?
The InChIKey is QCCGLEYNZOGOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-5-10(2)11(3)15-12-8-6-7-9-13(12)18(16,17)14-4/h6-11,14-15H,5H2,1-4H3.
What are the key properties of N-methyl-2-(3-methylpentan-2-ylamino)benzenesulfonamide?
N-methyl-2-(3-methylpentan-2-ylamino)benzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylpentan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 43749839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).