3-amino-2,5,6-trimethyl-N-pentylbenzenesulfonamide

C14H24N2O2S — CID 106503609

IUPAC3-amino-2,5,6-trimethyl-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1c(C)c(C)cc(N)c1C
InChIInChI=1S/C14H24N2O2S/c1-5-6-7-8-16-19(17,18)14-11(3)10(2)9-13(15)12(14)4/h9,16H,5-8,15H2,1-4H3
InChIKeyNERWDKAGJVPIMI-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.66
Rot. Bonds6

About 3-amino-2,5,6-trimethyl-N-pentylbenzenesulfonamide

3-amino-2,5,6-trimethyl-N-pentylbenzenesulfonamide (PubChem CID 106503609) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-amino-2,5,6-trimethyl-N-pentylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,5,6-trimethyl-N-pentylbenzenesulfonamide
PubChem CID106503609
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name3-amino-2,5,6-trimethyl-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1c(C)c(C)cc(N)c1C
InChIInChI=1S/C14H24N2O2S/c1-5-6-7-8-16-19(17,18)14-11(3)10(2)9-13(15)12(14)4/h9,16H,5-8,15H2,1-4H3
InChIKeyNERWDKAGJVPIMI-UHFFFAOYSA-N
XLogP2.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-2,3,5,6-tetramethylbenzenesulfonamide
CID 19681252
3-amino-N-(3-methoxypropyl)-2,5,6-trimethylbenzenesulfonamide
CID 106503739
3-amino-2,6-dimethyl-N-octylbenzenesulfonamide
CID 115566101
2-[(3-amino-2,5,6-trimethylphenyl)sulfonylamino]ethylurea
CID 106505300
2,3,4,5,6-pentamethyl-N-nonylbenzenesulfonamide
CID 19681388
2,3,4,5,6-pentamethyl-N-octylbenzenesulfonamide
CID 19681352
2-amino-N-hexyl-6-methylbenzenesulfonamide
CID 61110838
3-amino-2,5,6-trimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 106504797
3-amino-5-chloro-4-methyl-N-pentylbenzenesulfonamide
CID 29030378
3-amino-5-fluoro-N-hexyl-4-methylbenzenesulfonamide
CID 116791617
4-fluoro-2,6-dimethyl-N-octylbenzenesulfonamide
CID 107327354
2,3,5,6-tetramethyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62659681

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5,6-trimethyl-N-pentylbenzenesulfonamide?
The IUPAC name of 3-amino-2,5,6-trimethyl-N-pentylbenzenesulfonamide (CID 106503609) is 3-amino-2,5,6-trimethyl-N-pentylbenzenesulfonamide.
What is the SMILES notation for 3-amino-2,5,6-trimethyl-N-pentylbenzenesulfonamide?
The canonical SMILES for 3-amino-2,5,6-trimethyl-N-pentylbenzenesulfonamide is CCCCCNS(=O)(=O)c1c(C)c(C)cc(N)c1C.
What is the InChIKey of 3-amino-2,5,6-trimethyl-N-pentylbenzenesulfonamide?
The InChIKey is NERWDKAGJVPIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-6-7-8-16-19(17,18)14-11(3)10(2)9-13(15)12(14)4/h9,16H,5-8,15H2,1-4H3.
What are the key properties of 3-amino-2,5,6-trimethyl-N-pentylbenzenesulfonamide?
3-amino-2,5,6-trimethyl-N-pentylbenzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5,6-trimethyl-N-pentylbenzenesulfonamide is sourced from PubChem (CID 106503609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).