5-amino-2-chloro-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide

C14H22ClFN2O2S — CID 61108536

IUPAC5-amino-2-chloro-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide
SMILESCC(C)CCCC(C)NS(=O)(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C14H22ClFN2O2S/c1-9(2)5-4-6-10(3)18-21(19,20)14-8-13(17)12(16)7-11(14)15/h7-10,18H,4-6,17H2,1-3H3
InChIKeyZUPQOVZOGPFDLB-UHFFFAOYSA-N
MW336.86 g/mol
LogP3.55
Rot. Bonds7

About 5-amino-2-chloro-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide

5-amino-2-chloro-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide (PubChem CID 61108536) has the molecular formula C14H22ClFN2O2S and a molecular weight of 336.86 g/mol. Its IUPAC name is 5-amino-2-chloro-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide
PubChem CID61108536
Molecular FormulaC14H22ClFN2O2S
Molecular Weight336.86 g/mol
Exact Mass336.11
IUPAC Name5-amino-2-chloro-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide
SMILESCC(C)CCCC(C)NS(=O)(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C14H22ClFN2O2S/c1-9(2)5-4-6-10(3)18-21(19,20)14-8-13(17)12(16)7-11(14)15/h7-10,18H,4-6,17H2,1-3H3
InChIKeyZUPQOVZOGPFDLB-UHFFFAOYSA-N
XLogP3.55
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide (CID 61108536) is 5-amino-2-chloro-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide is CC(C)CCCC(C)NS(=O)(=O)c1cc(N)c(F)cc1Cl.
What is the InChIKey of 5-amino-2-chloro-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide?
The InChIKey is ZUPQOVZOGPFDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClFN2O2S/c1-9(2)5-4-6-10(3)18-21(19,20)14-8-13(17)12(16)7-11(14)15/h7-10,18H,4-6,17H2,1-3H3.
What are the key properties of 5-amino-2-chloro-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide?
5-amino-2-chloro-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide has a molecular weight of 336.86 g/mol, XLogP of 3.55, 7 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-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide is sourced from PubChem (CID 61108536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).