N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methoxy-N,2-dimethylbenzenesulfonamide

C14H23FN2O3S — CID 120712215

IUPACN-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methoxy-N,2-dimethylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(C)(C)CN)c(C)c1F
InChIInChI=1S/C14H23FN2O3S/c1-10-12(7-6-11(20-5)13(10)15)21(18,19)17(4)9-14(2,3)8-16/h6-7H,8-9,16H2,1-5H3
InChIKeyFQVXQFXJFYGRQB-UHFFFAOYSA-N
MW318.41 g/mol
LogP1.75
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methoxy-N,2-dimethylbenzenesulfonamide

N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methoxy-N,2-dimethylbenzenesulfonamide (PubChem CID 120712215) has the molecular formula C14H23FN2O3S and a molecular weight of 318.41 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methoxy-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methoxy-N,2-dimethylbenzenesulfonamide
PubChem CID120712215
Molecular FormulaC14H23FN2O3S
Molecular Weight318.41 g/mol
Exact Mass318.14
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methoxy-N,2-dimethylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(C)(C)CN)c(C)c1F
InChIInChI=1S/C14H23FN2O3S/c1-10-12(7-6-11(20-5)13(10)15)21(18,19)17(4)9-14(2,3)8-16/h6-7H,8-9,16H2,1-5H3
InChIKeyFQVXQFXJFYGRQB-UHFFFAOYSA-N
XLogP1.75
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methoxy-N,2-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methoxy-N,2-dimethylbenzenesulfonamide (CID 120712215) is N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methoxy-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methoxy-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methoxy-N,2-dimethylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(C)CC(C)(C)CN)c(C)c1F.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methoxy-N,2-dimethylbenzenesulfonamide?
The InChIKey is FQVXQFXJFYGRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O3S/c1-10-12(7-6-11(20-5)13(10)15)21(18,19)17(4)9-14(2,3)8-16/h6-7H,8-9,16H2,1-5H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methoxy-N,2-dimethylbenzenesulfonamide?
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methoxy-N,2-dimethylbenzenesulfonamide has a molecular weight of 318.41 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methoxy-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 120712215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).