2-amino-5-chloro-N-octan-2-ylbenzenesulfonamide

C14H23ClN2O2S — CID 63402410

IUPAC2-amino-5-chloro-N-octan-2-ylbenzenesulfonamide
SMILESCCCCCCC(C)NS(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C14H23ClN2O2S/c1-3-4-5-6-7-11(2)17-20(18,19)14-10-12(15)8-9-13(14)16/h8-11,17H,3-7,16H2,1-2H3
InChIKeyKFQGPIZJTMXZOP-UHFFFAOYSA-N
MW318.87 g/mol
LogP3.56
Rot. Bonds8

About 2-amino-5-chloro-N-octan-2-ylbenzenesulfonamide

2-amino-5-chloro-N-octan-2-ylbenzenesulfonamide (PubChem CID 63402410) has the molecular formula C14H23ClN2O2S and a molecular weight of 318.87 g/mol. Its IUPAC name is 2-amino-5-chloro-N-octan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-octan-2-ylbenzenesulfonamide
PubChem CID63402410
Molecular FormulaC14H23ClN2O2S
Molecular Weight318.87 g/mol
Exact Mass318.12
IUPAC Name2-amino-5-chloro-N-octan-2-ylbenzenesulfonamide
SMILESCCCCCCC(C)NS(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C14H23ClN2O2S/c1-3-4-5-6-7-11(2)17-20(18,19)14-10-12(15)8-9-13(14)16/h8-11,17H,3-7,16H2,1-2H3
InChIKeyKFQGPIZJTMXZOP-UHFFFAOYSA-N
XLogP3.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 53.56
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-5-chloro-N-pentan-2-ylbenzenesulfonamide
CID 54888470
2-amino-5-fluoro-N-hexan-2-ylbenzenesulfonamide
CID 62196910
2-amino-4-chloro-N-pentan-2-ylbenzenesulfonamide
CID 43107543
2-amino-5-chloro-N-hexylbenzenesulfonamide
CID 61108372
2-amino-N-hexan-2-yl-5-methylsulfonylbenzenesulfonamide
CID 62198995
3-amino-2,4-difluoro-N-octan-2-ylbenzenesulfonamide
CID 107343405
4-amino-3-chloro-N-heptan-2-ylbenzenesulfonamide
CID 115329836
2-amino-5-chloro-N-propan-2-ylbenzenesulfonamide
CID 60985820
2,5-dichloro-N-pentan-2-ylbenzenesulfonamide
CID 2886118
2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 788817
3-amino-N-heptan-2-yl-2,5-dimethylbenzenesulfonamide
CID 79889741
4-chloro-2,5-dimethyl-N-octan-2-ylbenzenesulfonamide
CID 19684239

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-octan-2-ylbenzenesulfonamide?
The IUPAC name of 2-amino-5-chloro-N-octan-2-ylbenzenesulfonamide (CID 63402410) is 2-amino-5-chloro-N-octan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-octan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-octan-2-ylbenzenesulfonamide is CCCCCCC(C)NS(=O)(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 2-amino-5-chloro-N-octan-2-ylbenzenesulfonamide?
The InChIKey is KFQGPIZJTMXZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2S/c1-3-4-5-6-7-11(2)17-20(18,19)14-10-12(15)8-9-13(14)16/h8-11,17H,3-7,16H2,1-2H3.
What are the key properties of 2-amino-5-chloro-N-octan-2-ylbenzenesulfonamide?
2-amino-5-chloro-N-octan-2-ylbenzenesulfonamide has a molecular weight of 318.87 g/mol, XLogP of 3.56, 8 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-octan-2-ylbenzenesulfonamide is sourced from PubChem (CID 63402410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).