N,4-dimethyl-3-(3-methylbutan-2-ylamino)benzenesulfonamide

C13H22N2O2S — CID 43752081

IUPACN,4-dimethyl-3-(3-methylbutan-2-ylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC(C)C(C)C)c1
InChIInChI=1S/C13H22N2O2S/c1-9(2)11(4)15-13-8-12(7-6-10(13)3)18(16,17)14-5/h6-9,11,14-15H,1-5H3
InChIKeyPACYYPBHIGUARX-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.36
Rot. Bonds5

About N,4-dimethyl-3-(3-methylbutan-2-ylamino)benzenesulfonamide

N,4-dimethyl-3-(3-methylbutan-2-ylamino)benzenesulfonamide (PubChem CID 43752081) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N,4-dimethyl-3-(3-methylbutan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-3-(3-methylbutan-2-ylamino)benzenesulfonamide
PubChem CID43752081
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN,4-dimethyl-3-(3-methylbutan-2-ylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC(C)C(C)C)c1
InChIInChI=1S/C13H22N2O2S/c1-9(2)11(4)15-13-8-12(7-6-10(13)3)18(16,17)14-5/h6-9,11,14-15H,1-5H3
InChIKeyPACYYPBHIGUARX-UHFFFAOYSA-N
XLogP2.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-3-(2-methylpentan-3-ylamino)benzenesulfonamide
CID 43792529
N,4-dimethyl-3-(5-methylheptan-3-ylamino)benzenesulfonamide
CID 43752075
2-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 43695768
3-[(3-methoxy-2-methylpropyl)amino]-N,4-dimethylbenzenesulfonamide
CID 116501144
N,3-dimethyl-4-propan-2-ylbenzenesulfonamide
CID 70996925
N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-propan-2-yloxyacetamide
CID 47413216
N,4-dimethyl-3-(pentylamino)benzenesulfonamide
CID 43752016
3-iodo-N,4-dimethylbenzenesulfonamide
CID 2817416
(2S)-2-amino-4-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide
CID 61155453
2,2,2-trifluoro-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 63374698
N,4-dimethyl-3-(thian-4-ylamino)benzenesulfonamide
CID 43752109
N,4-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 75486975

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-(3-methylbutan-2-ylamino)benzenesulfonamide?
The IUPAC name of N,4-dimethyl-3-(3-methylbutan-2-ylamino)benzenesulfonamide (CID 43752081) is N,4-dimethyl-3-(3-methylbutan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-3-(3-methylbutan-2-ylamino)benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-3-(3-methylbutan-2-ylamino)benzenesulfonamide is CNS(=O)(=O)c1ccc(C)c(NC(C)C(C)C)c1.
What is the InChIKey of N,4-dimethyl-3-(3-methylbutan-2-ylamino)benzenesulfonamide?
The InChIKey is PACYYPBHIGUARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-9(2)11(4)15-13-8-12(7-6-10(13)3)18(16,17)14-5/h6-9,11,14-15H,1-5H3.
What are the key properties of N,4-dimethyl-3-(3-methylbutan-2-ylamino)benzenesulfonamide?
N,4-dimethyl-3-(3-methylbutan-2-ylamino)benzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-(3-methylbutan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 43752081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).