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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Related Compounds

N-(3-amino-2-methylpropyl)-5-bromo-2-fluoro-N-methylbenzenesulfonamide
CID 115272371
3-amino-4-fluoro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 55061064
4-bromo-3-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 103697508
N-(2-amino-1-cyclopropylethyl)-3,4-difluoro-N-methylbenzenesulfonamide
CID 116652197
N-[(2R)-1-aminopropan-2-yl]-3,4-difluorobenzenesulfonamide
CID 104873374
methyl 3-[(3-amino-4-fluorophenyl)sulfonyl-methylamino]-2-methylpropanoate
CID 61141111
N-[(2,4-difluorophenyl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide
CID 31818139
N-[(5-chlorothiophen-2-yl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide
CID 9302132
3-[(3,4-difluorophenyl)sulfonyl-methylamino]butanethioamide
CID 63223597
4-(3-aminoprop-1-ynyl)-N-(2-cyanopropyl)-3-fluoro-N-methylbenzenesulfonamide
CID 107652736
N-(2-aminoethyl)-3-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 62685889
4-(aminomethyl)-N-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295859

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).