N-methyl-3-(4-methylpentan-2-ylamino)benzenesulfonamide

C13H22N2O2S — CID 43688554

IUPACN-methyl-3-(4-methylpentan-2-ylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NC(C)CC(C)C)c1
InChIInChI=1S/C13H22N2O2S/c1-10(2)8-11(3)15-12-6-5-7-13(9-12)18(16,17)14-4/h5-7,9-11,14-15H,8H2,1-4H3
InChIKeySRGWCTWUYKAZJD-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.44
Rot. Bonds6

About N-methyl-3-(4-methylpentan-2-ylamino)benzenesulfonamide

N-methyl-3-(4-methylpentan-2-ylamino)benzenesulfonamide (PubChem CID 43688554) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-methyl-3-(4-methylpentan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-(4-methylpentan-2-ylamino)benzenesulfonamide
PubChem CID43688554
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-methyl-3-(4-methylpentan-2-ylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NC(C)CC(C)C)c1
InChIInChI=1S/C13H22N2O2S/c1-10(2)8-11(3)15-12-6-5-7-13(9-12)18(16,17)14-4/h5-7,9-11,14-15H,8H2,1-4H3
InChIKeySRGWCTWUYKAZJD-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

N-methyl-3-(2-methylpropylamino)benzenesulfonamide
CID 43688509
N-methyl-3-(methylamino)benzenesulfonamide
CID 63089854
2-[3-(methylsulfamoyl)anilino]butanoic acid
CID 113292402
3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide
CID 43688525
3-(methylamino)-N-(2-methylpropyl)benzenesulfonamide
CID 119028425
3-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylbenzenesulfonamide
CID 107441517
3-(2-dodecan-2-ylhydrazinyl)-N-methylbenzenesulfonamide
CID 57192896
2-bromo-N-[3-(methylsulfamoyl)phenyl]propanamide
CID 107903680
(2R)-2-amino-N-[3-(methylsulfamoyl)phenyl]propanamide
CID 51885688
3-[(1R)-1-(3-fluoroanilino)ethyl]-N-methylbenzenesulfonamide
CID 97337885
3-(benzylamino)-N-methylbenzenesulfonamide
CID 43688532
N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzenesulfonamide
CID 62704990

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylpentan-2-ylamino)benzenesulfonamide?
The IUPAC name of N-methyl-3-(4-methylpentan-2-ylamino)benzenesulfonamide (CID 43688554) is N-methyl-3-(4-methylpentan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for N-methyl-3-(4-methylpentan-2-ylamino)benzenesulfonamide?
The canonical SMILES for N-methyl-3-(4-methylpentan-2-ylamino)benzenesulfonamide is CNS(=O)(=O)c1cccc(NC(C)CC(C)C)c1.
What is the InChIKey of N-methyl-3-(4-methylpentan-2-ylamino)benzenesulfonamide?
The InChIKey is SRGWCTWUYKAZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-10(2)8-11(3)15-12-6-5-7-13(9-12)18(16,17)14-4/h5-7,9-11,14-15H,8H2,1-4H3.
What are the key properties of N-methyl-3-(4-methylpentan-2-ylamino)benzenesulfonamide?
N-methyl-3-(4-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-3-(4-methylpentan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 43688554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).