5-(aminomethyl)-2-chloro-N-(5-methylhexyl)benzenesulfonamide

C14H23ClN2O2S — CID 115327519

IUPAC5-(aminomethyl)-2-chloro-N-(5-methylhexyl)benzenesulfonamide
SMILESCC(C)CCCCNS(=O)(=O)c1cc(CN)ccc1Cl
InChIInChI=1S/C14H23ClN2O2S/c1-11(2)5-3-4-8-17-20(18,19)14-9-12(10-16)6-7-13(14)15/h6-7,9,11,17H,3-5,8,10,16H2,1-2H3
InChIKeyKSOUVIOQDKQCSE-UHFFFAOYSA-N
MW318.87 g/mol
LogP2.90
Rot. Bonds8

About 5-(aminomethyl)-2-chloro-N-(5-methylhexyl)benzenesulfonamide

5-(aminomethyl)-2-chloro-N-(5-methylhexyl)benzenesulfonamide (PubChem CID 115327519) has the molecular formula C14H23ClN2O2S and a molecular weight of 318.87 g/mol. Its IUPAC name is 5-(aminomethyl)-2-chloro-N-(5-methylhexyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-chloro-N-(5-methylhexyl)benzenesulfonamide
PubChem CID115327519
Molecular FormulaC14H23ClN2O2S
Molecular Weight318.87 g/mol
Exact Mass318.12
IUPAC Name5-(aminomethyl)-2-chloro-N-(5-methylhexyl)benzenesulfonamide
SMILESCC(C)CCCCNS(=O)(=O)c1cc(CN)ccc1Cl
InChIInChI=1S/C14H23ClN2O2S/c1-11(2)5-3-4-8-17-20(18,19)14-9-12(10-16)6-7-13(14)15/h6-7,9,11,17H,3-5,8,10,16H2,1-2H3
InChIKeyKSOUVIOQDKQCSE-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-2-chloro-N-(4-methoxybutyl)benzenesulfonamide
CID 106053951
3-(aminomethyl)-2,4-dichloro-N-(5-methylhexyl)benzenesulfonamide
CID 115327618
5-(aminomethyl)-2,4-dichloro-N-(5-methylhexyl)benzenesulfonamide
CID 115327509
2-chloro-5-cyano-N-(5-methylhexyl)benzenesulfonamide
CID 115325652
2-chloro-N-(5-methylhexyl)-5-nitrobenzenesulfonamide
CID 115325250
5-(aminomethyl)-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102915813
5-amino-2-chloro-4-methyl-N-(5-methylhexyl)benzenesulfonamide
CID 115324554
3-amino-4-chloro-N-(5-methylhexyl)benzenesulfonamide
CID 115324593
4-(aminomethyl)-2-chloro-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106016293
5-(aminomethyl)-2-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79361372
3-bromo-4-chloro-N-(7-methyloctyl)benzenesulfonamide
CID 106612008
5-(aminomethyl)-2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 106056423

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-chloro-N-(5-methylhexyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-chloro-N-(5-methylhexyl)benzenesulfonamide (CID 115327519) is 5-(aminomethyl)-2-chloro-N-(5-methylhexyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-chloro-N-(5-methylhexyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-chloro-N-(5-methylhexyl)benzenesulfonamide is CC(C)CCCCNS(=O)(=O)c1cc(CN)ccc1Cl.
What is the InChIKey of 5-(aminomethyl)-2-chloro-N-(5-methylhexyl)benzenesulfonamide?
The InChIKey is KSOUVIOQDKQCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2S/c1-11(2)5-3-4-8-17-20(18,19)14-9-12(10-16)6-7-13(14)15/h6-7,9,11,17H,3-5,8,10,16H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2-chloro-N-(5-methylhexyl)benzenesulfonamide?
5-(aminomethyl)-2-chloro-N-(5-methylhexyl)benzenesulfonamide has a molecular weight of 318.87 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-chloro-N-(5-methylhexyl)benzenesulfonamide is sourced from PubChem (CID 115327519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).