4-amino-3-hexoxy-N,N-dimethylbenzenesulfonamide

C14H24N2O3S — CID 82901534

IUPAC4-amino-3-hexoxy-N,N-dimethylbenzenesulfonamide
SMILESCCCCCCOc1cc(S(=O)(=O)N(C)C)ccc1N
InChIInChI=1S/C14H24N2O3S/c1-4-5-6-7-10-19-14-11-12(8-9-13(14)15)20(17,18)16(2)3/h8-9,11H,4-7,10,15H2,1-3H3
InChIKeyXXAKWEXKIGPMKE-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.48
Rot. Bonds8

About 4-amino-3-hexoxy-N,N-dimethylbenzenesulfonamide

4-amino-3-hexoxy-N,N-dimethylbenzenesulfonamide (PubChem CID 82901534) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 4-amino-3-hexoxy-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-hexoxy-N,N-dimethylbenzenesulfonamide
PubChem CID82901534
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name4-amino-3-hexoxy-N,N-dimethylbenzenesulfonamide
SMILESCCCCCCOc1cc(S(=O)(=O)N(C)C)ccc1N
InChIInChI=1S/C14H24N2O3S/c1-4-5-6-7-10-19-14-11-12(8-9-13(14)15)20(17,18)16(2)3/h8-9,11H,4-7,10,15H2,1-3H3
InChIKeyXXAKWEXKIGPMKE-UHFFFAOYSA-N
XLogP2.48
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-amino-3-heptoxy-N,N-dimethylbenzenesulfonamide
CID 82902494
3-amino-4-hexadecoxy-N,N-dimethylbenzenesulfonamide
CID 3578870
4-amino-3-(3-hydroxypropoxy)-N,N-dimethylbenzenesulfonamide
CID 82901321
4-amino-3-hexoxybenzenesulfonamide
CID 82898886
4-amino-3-(cyclopropylmethoxy)-N,N-dimethylbenzenesulfonamide
CID 82900891
3-amino-4-(2-ethoxyethoxy)-N,N-dimethylbenzenesulfonamide
CID 43341134
4-ethylsulfonyl-2-propoxyaniline
CID 63670906
4-amino-N,N-dimethyl-3-(pentylamino)benzenesulfonamide
CID 82899819
2-octoxyaniline
CID 14747235
4-fluoro-2-octoxyaniline
CID 43128998
4-[4-amino-3-(2-hexoxyethoxy)phenyl]-2-(2-hexoxyethoxy)aniline
CID 139768534
4-octoxy-2-propoxyaniline
CID 63676334

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hexoxy-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-3-hexoxy-N,N-dimethylbenzenesulfonamide (CID 82901534) is 4-amino-3-hexoxy-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-hexoxy-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-hexoxy-N,N-dimethylbenzenesulfonamide is CCCCCCOc1cc(S(=O)(=O)N(C)C)ccc1N.
What is the InChIKey of 4-amino-3-hexoxy-N,N-dimethylbenzenesulfonamide?
The InChIKey is XXAKWEXKIGPMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-4-5-6-7-10-19-14-11-12(8-9-13(14)15)20(17,18)16(2)3/h8-9,11H,4-7,10,15H2,1-3H3.
What are the key properties of 4-amino-3-hexoxy-N,N-dimethylbenzenesulfonamide?
4-amino-3-hexoxy-N,N-dimethylbenzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hexoxy-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 82901534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).