N-methyl-4-(2,3,3-trimethylbutylamino)benzenesulfonamide

C14H24N2O2S — CID 83144551

IUPACN-methyl-4-(2,3,3-trimethylbutylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCC(C)C(C)(C)C)cc1
InChIInChI=1S/C14H24N2O2S/c1-11(14(2,3)4)10-16-12-6-8-13(9-7-12)19(17,18)15-5/h6-9,11,15-16H,10H2,1-5H3
InChIKeyUATJPYVUBHYFSP-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.69
Rot. Bonds5

About N-methyl-4-(2,3,3-trimethylbutylamino)benzenesulfonamide

N-methyl-4-(2,3,3-trimethylbutylamino)benzenesulfonamide (PubChem CID 83144551) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-methyl-4-(2,3,3-trimethylbutylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-(2,3,3-trimethylbutylamino)benzenesulfonamide
PubChem CID83144551
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-methyl-4-(2,3,3-trimethylbutylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCC(C)C(C)(C)C)cc1
InChIInChI=1S/C14H24N2O2S/c1-11(14(2,3)4)10-16-12-6-8-13(9-7-12)19(17,18)15-5/h6-9,11,15-16H,10H2,1-5H3
InChIKeyUATJPYVUBHYFSP-UHFFFAOYSA-N
XLogP2.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-(2-methylpropylamino)benzenesulfonamide
CID 43453809
N-methyl-4-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide
CID 113282613
N-methyl-4-(2,2,2-trifluoroethylamino)benzenesulfonamide
CID 43453835
N-methyl-4-(2-propan-2-yloxyethylamino)benzenesulfonamide
CID 104762386
4-(2,3,3-trimethylbutylsulfamoyl)benzenesulfonyl chloride
CID 83142937
N-methyl-4-(methylamino)benzenesulfonamide
CID 15049669
4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 43453851
3-methoxy-4-[4-(methylsulfamoyl)anilino]butanoic acid
CID 103153862
N-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide
CID 102914045
4-(ethylamino)-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 62143037
2-methyl-3-(methylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 79196433
2-methyl-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 17069914

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2,3,3-trimethylbutylamino)benzenesulfonamide?
The IUPAC name of N-methyl-4-(2,3,3-trimethylbutylamino)benzenesulfonamide (CID 83144551) is N-methyl-4-(2,3,3-trimethylbutylamino)benzenesulfonamide.
What is the SMILES notation for N-methyl-4-(2,3,3-trimethylbutylamino)benzenesulfonamide?
The canonical SMILES for N-methyl-4-(2,3,3-trimethylbutylamino)benzenesulfonamide is CNS(=O)(=O)c1ccc(NCC(C)C(C)(C)C)cc1.
What is the InChIKey of N-methyl-4-(2,3,3-trimethylbutylamino)benzenesulfonamide?
The InChIKey is UATJPYVUBHYFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-11(14(2,3)4)10-16-12-6-8-13(9-7-12)19(17,18)15-5/h6-9,11,15-16H,10H2,1-5H3.
What are the key properties of N-methyl-4-(2,3,3-trimethylbutylamino)benzenesulfonamide?
N-methyl-4-(2,3,3-trimethylbutylamino)benzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2,3,3-trimethylbutylamino)benzenesulfonamide is sourced from PubChem (CID 83144551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).