3-amino-4-(cyclohexylamino)-N-ethylbenzenesulfonamide

C14H23N3O2S — CID 121334908

IUPAC3-amino-4-(cyclohexylamino)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NC2CCCCC2)c(N)c1
InChIInChI=1S/C14H23N3O2S/c1-2-16-20(18,19)12-8-9-14(13(15)10-12)17-11-6-4-3-5-7-11/h8-11,16-17H,2-7,15H2,1H3
InChIKeyXYKMYJCHTSIOQC-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.31
Rot. Bonds5

About 3-amino-4-(cyclohexylamino)-N-ethylbenzenesulfonamide

3-amino-4-(cyclohexylamino)-N-ethylbenzenesulfonamide (PubChem CID 121334908) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-amino-4-(cyclohexylamino)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-(cyclohexylamino)-N-ethylbenzenesulfonamide
PubChem CID121334908
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-amino-4-(cyclohexylamino)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NC2CCCCC2)c(N)c1
InChIInChI=1S/C14H23N3O2S/c1-2-16-20(18,19)12-8-9-14(13(15)10-12)17-11-6-4-3-5-7-11/h8-11,16-17H,2-7,15H2,1H3
InChIKeyXYKMYJCHTSIOQC-UHFFFAOYSA-N
XLogP2.31
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(cyclohexylamino)-N-ethylbenzenesulfonamide?
The IUPAC name of 3-amino-4-(cyclohexylamino)-N-ethylbenzenesulfonamide (CID 121334908) is 3-amino-4-(cyclohexylamino)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-(cyclohexylamino)-N-ethylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-(cyclohexylamino)-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(NC2CCCCC2)c(N)c1.
What is the InChIKey of 3-amino-4-(cyclohexylamino)-N-ethylbenzenesulfonamide?
The InChIKey is XYKMYJCHTSIOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-2-16-20(18,19)12-8-9-14(13(15)10-12)17-11-6-4-3-5-7-11/h8-11,16-17H,2-7,15H2,1H3.
What are the key properties of 3-amino-4-(cyclohexylamino)-N-ethylbenzenesulfonamide?
3-amino-4-(cyclohexylamino)-N-ethylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(cyclohexylamino)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 121334908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).