N-(5-amino-2,2-dimethylpentyl)-5-fluoro-2-methylbenzenesulfonamide

C14H23FN2O2S — CID 106141876

IUPACN-(5-amino-2,2-dimethylpentyl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NCC(C)(C)CCCN
InChIInChI=1S/C14H23FN2O2S/c1-11-5-6-12(15)9-13(11)20(18,19)17-10-14(2,3)7-4-8-16/h5-6,9,17H,4,7-8,10,16H2,1-3H3
InChIKeyHKRHBYSAKYSRMW-UHFFFAOYSA-N
MW302.41 g/mol
LogP2.18
Rot. Bonds7

About N-(5-amino-2,2-dimethylpentyl)-5-fluoro-2-methylbenzenesulfonamide

N-(5-amino-2,2-dimethylpentyl)-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 106141876) has the molecular formula C14H23FN2O2S and a molecular weight of 302.41 g/mol. Its IUPAC name is N-(5-amino-2,2-dimethylpentyl)-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2,2-dimethylpentyl)-5-fluoro-2-methylbenzenesulfonamide
PubChem CID106141876
Molecular FormulaC14H23FN2O2S
Molecular Weight302.41 g/mol
Exact Mass302.15
IUPAC NameN-(5-amino-2,2-dimethylpentyl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NCC(C)(C)CCCN
InChIInChI=1S/C14H23FN2O2S/c1-11-5-6-12(15)9-13(11)20(18,19)17-10-14(2,3)7-4-8-16/h5-6,9,17H,4,7-8,10,16H2,1-3H3
InChIKeyHKRHBYSAKYSRMW-UHFFFAOYSA-N
XLogP2.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2,2-dimethylpentyl)-2,5-difluorobenzenesulfonamide
CID 106146364
N-(5-bromo-2,2-dimethylpentyl)-2,4-difluorobenzenesulfonamide
CID 106146325
5-fluoro-N-(2,2,3,3,4,4,4-heptafluorobutyl)-2-methylbenzenesulfonamide
CID 3682827
2-chloro-N-(5-chloro-2,2-dimethylpentyl)-5-fluorobenzenesulfonamide
CID 106146182
N-[2-(bromomethyl)-2-ethylbutyl]-5-fluoro-2-methylbenzenesulfonamide
CID 106256050
N-(1-amino-2-methylpropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 61124375
N-(3-bromopropyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43167190
N-(4-amino-2,2-dimethylbutyl)-2,4-dimethylbenzenesulfonamide
CID 106141546
N-(5-amino-2,2-dimethylpentyl)-3-methylbenzenesulfonamide
CID 106141735
N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzenesulfonamide
CID 106141646
2-amino-N-(2,2-dimethylbutyl)-4-fluorobenzenesulfonamide
CID 103460021
N-(6-aminohexyl)-2,5-difluorobenzenesulfonamide
CID 107844397

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,2-dimethylpentyl)-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(5-amino-2,2-dimethylpentyl)-5-fluoro-2-methylbenzenesulfonamide (CID 106141876) is N-(5-amino-2,2-dimethylpentyl)-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-amino-2,2-dimethylpentyl)-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(5-amino-2,2-dimethylpentyl)-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)NCC(C)(C)CCCN.
What is the InChIKey of N-(5-amino-2,2-dimethylpentyl)-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is HKRHBYSAKYSRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2S/c1-11-5-6-12(15)9-13(11)20(18,19)17-10-14(2,3)7-4-8-16/h5-6,9,17H,4,7-8,10,16H2,1-3H3.
What are the key properties of N-(5-amino-2,2-dimethylpentyl)-5-fluoro-2-methylbenzenesulfonamide?
N-(5-amino-2,2-dimethylpentyl)-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 302.41 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,2-dimethylpentyl)-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 106141876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).