5-amino-2-chloro-4-methyl-N-octan-4-ylbenzenesulfonamide

C15H25ClN2O2S — CID 106022168

IUPAC5-amino-2-chloro-4-methyl-N-octan-4-ylbenzenesulfonamide
SMILESCCCCC(CCC)NS(=O)(=O)c1cc(N)c(C)cc1Cl
InChIInChI=1S/C15H25ClN2O2S/c1-4-6-8-12(7-5-2)18-21(19,20)15-10-14(17)11(3)9-13(15)16/h9-10,12,18H,4-8,17H2,1-3H3
InChIKeyUQIVUWIMKPXKGJ-UHFFFAOYSA-N
MW332.90 g/mol
LogP3.87
Rot. Bonds8

About 5-amino-2-chloro-4-methyl-N-octan-4-ylbenzenesulfonamide

5-amino-2-chloro-4-methyl-N-octan-4-ylbenzenesulfonamide (PubChem CID 106022168) has the molecular formula C15H25ClN2O2S and a molecular weight of 332.90 g/mol. Its IUPAC name is 5-amino-2-chloro-4-methyl-N-octan-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-4-methyl-N-octan-4-ylbenzenesulfonamide
PubChem CID106022168
Molecular FormulaC15H25ClN2O2S
Molecular Weight332.90 g/mol
Exact Mass332.13
IUPAC Name5-amino-2-chloro-4-methyl-N-octan-4-ylbenzenesulfonamide
SMILESCCCCC(CCC)NS(=O)(=O)c1cc(N)c(C)cc1Cl
InChIInChI=1S/C15H25ClN2O2S/c1-4-6-8-12(7-5-2)18-21(19,20)15-10-14(17)11(3)9-13(15)16/h9-10,12,18H,4-8,17H2,1-3H3
InChIKeyUQIVUWIMKPXKGJ-UHFFFAOYSA-N
XLogP3.87
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.90
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-amino-2-chloro-4-methylphenyl)sulfonyl-3-butylurea
CID 116645763
4-amino-2,6-dibromo-N-octan-4-ylbenzenesulfonamide
CID 106022120
5-amino-2-chloro-4-methyl-N-(5-methylhexyl)benzenesulfonamide
CID 115324554
2-bromo-N-octan-4-ylbenzenesulfonamide
CID 106025735
5-(aminomethyl)-2,4-dichloro-N-hexan-3-ylbenzenesulfonamide
CID 106055367
3-amino-5-chloro-N-hexan-3-yl-2-methylbenzenesulfonamide
CID 114379488
5-amino-2-chloro-N-[(2R)-2-hydroxypropyl]-4-methylbenzenesulfonamide
CID 107213312
3-amino-1-ethyl-N-octan-4-ylpyrazole-4-sulfonamide
CID 106022099
3-(aminomethyl)-2-methyl-N-octan-4-ylbenzenesulfonamide
CID 106094704
2-amino-N-octan-4-ylpyrimidine-5-sulfonamide
CID 106027708
2-bromo-5-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide
CID 106022484
5-bromo-2-(methylamino)-N-octan-4-ylpyridine-3-sulfonamide
CID 106027676

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-4-methyl-N-octan-4-ylbenzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-4-methyl-N-octan-4-ylbenzenesulfonamide (CID 106022168) is 5-amino-2-chloro-4-methyl-N-octan-4-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-4-methyl-N-octan-4-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-4-methyl-N-octan-4-ylbenzenesulfonamide is CCCCC(CCC)NS(=O)(=O)c1cc(N)c(C)cc1Cl.
What is the InChIKey of 5-amino-2-chloro-4-methyl-N-octan-4-ylbenzenesulfonamide?
The InChIKey is UQIVUWIMKPXKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O2S/c1-4-6-8-12(7-5-2)18-21(19,20)15-10-14(17)11(3)9-13(15)16/h9-10,12,18H,4-8,17H2,1-3H3.
What are the key properties of 5-amino-2-chloro-4-methyl-N-octan-4-ylbenzenesulfonamide?
5-amino-2-chloro-4-methyl-N-octan-4-ylbenzenesulfonamide has a molecular weight of 332.90 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-4-methyl-N-octan-4-ylbenzenesulfonamide is sourced from PubChem (CID 106022168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).