2-amino-N-hexyl-6-methylbenzenesulfonamide

C13H22N2O2S — CID 61110838

IUPAC2-amino-N-hexyl-6-methylbenzenesulfonamide
SMILESCCCCCCNS(=O)(=O)c1c(C)cccc1N
InChIInChI=1S/C13H22N2O2S/c1-3-4-5-6-10-15-18(16,17)13-11(2)8-7-9-12(13)14/h7-9,15H,3-6,10,14H2,1-2H3
InChIKeyMRMOOPGVYWKZEL-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.44
Rot. Bonds7

About 2-amino-N-hexyl-6-methylbenzenesulfonamide

2-amino-N-hexyl-6-methylbenzenesulfonamide (PubChem CID 61110838) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-amino-N-hexyl-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-hexyl-6-methylbenzenesulfonamide
PubChem CID61110838
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name2-amino-N-hexyl-6-methylbenzenesulfonamide
SMILESCCCCCCNS(=O)(=O)c1c(C)cccc1N
InChIInChI=1S/C13H22N2O2S/c1-3-4-5-6-10-15-18(16,17)13-11(2)8-7-9-12(13)14/h7-9,15H,3-6,10,14H2,1-2H3
InChIKeyMRMOOPGVYWKZEL-UHFFFAOYSA-N
XLogP2.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

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

2-amino-N-(6-hydroxyhexyl)-6-methylbenzenesulfonamide
CID 107843459
2-amino-6-methyl-N-propylbenzenesulfonamide
CID 43452324
2-amino-6-chloro-N-octylbenzenesulfonamide
CID 115565998
3-amino-2,6-dimethyl-N-octylbenzenesulfonamide
CID 115566101
2-amino-N-(3-cyclopentylpropyl)-6-methylbenzenesulfonamide
CID 106006663
2-methyl-6-nitro-N-pentylbenzenesulfonamide
CID 47034876
3-amino-2,5,6-trimethyl-N-pentylbenzenesulfonamide
CID 106503609
3-[(2-amino-6-methylphenyl)sulfonylamino]-N,N-diethylpropanamide
CID 61125157
2-amino-6-methyl-N-prop-2-ynylbenzenesulfonamide
CID 61112321
2-amino-N-[(4-ethylphenyl)methyl]-6-methylbenzenesulfonamide
CID 106899187
N-hexyl-2,3,5,6-tetramethylbenzenesulfonamide
CID 19681252
2-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 55097806

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-hexyl-6-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-hexyl-6-methylbenzenesulfonamide (CID 61110838) is 2-amino-N-hexyl-6-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-hexyl-6-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-hexyl-6-methylbenzenesulfonamide is CCCCCCNS(=O)(=O)c1c(C)cccc1N.
What is the InChIKey of 2-amino-N-hexyl-6-methylbenzenesulfonamide?
The InChIKey is MRMOOPGVYWKZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-3-4-5-6-10-15-18(16,17)13-11(2)8-7-9-12(13)14/h7-9,15H,3-6,10,14H2,1-2H3.
What are the key properties of 2-amino-N-hexyl-6-methylbenzenesulfonamide?
2-amino-N-hexyl-6-methylbenzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-hexyl-6-methylbenzenesulfonamide is sourced from PubChem (CID 61110838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).