2-amino-5-chloro-N-hexylbenzenesulfonamide

C12H19ClN2O2S — CID 61108372

IUPAC2-amino-5-chloro-N-hexylbenzenesulfonamide
SMILESCCCCCCNS(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C12H19ClN2O2S/c1-2-3-4-5-8-15-18(16,17)12-9-10(13)6-7-11(12)14/h6-7,9,15H,2-5,8,14H2,1H3
InChIKeyTZHYNSULNBLRLN-UHFFFAOYSA-N
MW290.82 g/mol
LogP2.78
Rot. Bonds7

About 2-amino-5-chloro-N-hexylbenzenesulfonamide

2-amino-5-chloro-N-hexylbenzenesulfonamide (PubChem CID 61108372) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 2-amino-5-chloro-N-hexylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-hexylbenzenesulfonamide
PubChem CID61108372
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name2-amino-5-chloro-N-hexylbenzenesulfonamide
SMILESCCCCCCNS(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C12H19ClN2O2S/c1-2-3-4-5-8-15-18(16,17)12-9-10(13)6-7-11(12)14/h6-7,9,15H,2-5,8,14H2,1H3
InChIKeyTZHYNSULNBLRLN-UHFFFAOYSA-N
XLogP2.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 52.78
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'}

Analyze 2-amino-5-chloro-N-hexylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-chloro-N-(3-propoxypropyl)benzenesulfonamide
CID 82940052
3-amino-2-bromo-5-chloro-N-hexylbenzenesulfonamide
CID 55153848
2-amino-5-chloro-N-hex-5-ynylbenzenesulfonamide
CID 106208461
2-amino-5-chloro-N-octan-2-ylbenzenesulfonamide
CID 63402410
2-amino-5-chloro-N-(2-sulfamoylethyl)benzenesulfonamide
CID 54888381
3-amino-4-chloro-N-dodecylbenzenesulfonamide
CID 5086420
4-amino-3-chloro-N-pentylbenzenesulfonamide
CID 115329349
3-[(2-amino-5-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 61127654
2-amino-5-chloro-N-[2-(dimethylamino)propyl]benzenesulfonamide
CID 61127626
3-[2-[(2-amino-5-chlorophenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83108543
2-amino-4-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333180
2-amino-5-chloro-N-[(3-chlorophenyl)methyl]benzenesulfonamide
CID 61108918

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-hexylbenzenesulfonamide?
The IUPAC name of 2-amino-5-chloro-N-hexylbenzenesulfonamide (CID 61108372) is 2-amino-5-chloro-N-hexylbenzenesulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-hexylbenzenesulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-hexylbenzenesulfonamide is CCCCCCNS(=O)(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 2-amino-5-chloro-N-hexylbenzenesulfonamide?
The InChIKey is TZHYNSULNBLRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S/c1-2-3-4-5-8-15-18(16,17)12-9-10(13)6-7-11(12)14/h6-7,9,15H,2-5,8,14H2,1H3.
What are the key properties of 2-amino-5-chloro-N-hexylbenzenesulfonamide?
2-amino-5-chloro-N-hexylbenzenesulfonamide has a molecular weight of 290.82 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-hexylbenzenesulfonamide is sourced from PubChem (CID 61108372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).