N-(3-amino-2-methylpropyl)-3,4-difluoro-N-methylbenzenesulfonamide

C11H16F2N2O2S — CID 54992099

IUPACN-(3-amino-2-methylpropyl)-3,4-difluoro-N-methylbenzenesulfonamide
SMILESCC(CN)CN(C)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H16F2N2O2S/c1-8(6-14)7-15(2)18(16,17)9-3-4-10(12)11(13)5-9/h3-5,8H,6-7,14H2,1-2H3
InChIKeyGMLWUGBXNFJVPE-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.18
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-3,4-difluoro-N-methylbenzenesulfonamide

N-(3-amino-2-methylpropyl)-3,4-difluoro-N-methylbenzenesulfonamide (PubChem CID 54992099) has the molecular formula C11H16F2N2O2S and a molecular weight of 278.32 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3,4-difluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3,4-difluoro-N-methylbenzenesulfonamide
PubChem CID54992099
Molecular FormulaC11H16F2N2O2S
Molecular Weight278.32 g/mol
Exact Mass278.09
IUPAC NameN-(3-amino-2-methylpropyl)-3,4-difluoro-N-methylbenzenesulfonamide
SMILESCC(CN)CN(C)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H16F2N2O2S/c1-8(6-14)7-15(2)18(16,17)9-3-4-10(12)11(13)5-9/h3-5,8H,6-7,14H2,1-2H3
InChIKeyGMLWUGBXNFJVPE-UHFFFAOYSA-N
XLogP1.18
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3,4-difluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-3,4-difluoro-N-methylbenzenesulfonamide (CID 54992099) is N-(3-amino-2-methylpropyl)-3,4-difluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3,4-difluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3,4-difluoro-N-methylbenzenesulfonamide is CC(CN)CN(C)S(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3,4-difluoro-N-methylbenzenesulfonamide?
The InChIKey is GMLWUGBXNFJVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2S/c1-8(6-14)7-15(2)18(16,17)9-3-4-10(12)11(13)5-9/h3-5,8H,6-7,14H2,1-2H3.
What are the key properties of N-(3-amino-2-methylpropyl)-3,4-difluoro-N-methylbenzenesulfonamide?
N-(3-amino-2-methylpropyl)-3,4-difluoro-N-methylbenzenesulfonamide has a molecular weight of 278.32 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3,4-difluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 54992099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).