5-amino-2,3-difluoro-N-methyl-N-(3-methylbutyl)benzenesulfonamide

C12H18F2N2O2S — CID 65020963

IUPAC5-amino-2,3-difluoro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCC(C)CCN(C)S(=O)(=O)c1cc(N)cc(F)c1F
InChIInChI=1S/C12H18F2N2O2S/c1-8(2)4-5-16(3)19(17,18)11-7-9(15)6-10(13)12(11)14/h6-8H,4-5,15H2,1-3H3
InChIKeyDHUFUZLVCXRDGX-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.21
Rot. Bonds5

About 5-amino-2,3-difluoro-N-methyl-N-(3-methylbutyl)benzenesulfonamide

5-amino-2,3-difluoro-N-methyl-N-(3-methylbutyl)benzenesulfonamide (PubChem CID 65020963) has the molecular formula C12H18F2N2O2S and a molecular weight of 292.35 g/mol. Its IUPAC name is 5-amino-2,3-difluoro-N-methyl-N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,3-difluoro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
PubChem CID65020963
Molecular FormulaC12H18F2N2O2S
Molecular Weight292.35 g/mol
Exact Mass292.11
IUPAC Name5-amino-2,3-difluoro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCC(C)CCN(C)S(=O)(=O)c1cc(N)cc(F)c1F
InChIInChI=1S/C12H18F2N2O2S/c1-8(2)4-5-16(3)19(17,18)11-7-9(15)6-10(13)12(11)14/h6-8H,4-5,15H2,1-3H3
InChIKeyDHUFUZLVCXRDGX-UHFFFAOYSA-N
XLogP2.21
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 65023425
5-amino-2,3-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
CID 65020928
5-amino-2-ethyl-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61114748
5-amino-2,3-difluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 112656684
5-amino-2,3-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 65020571
5-amino-2-ethoxy-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61428651
2-amino-5-chloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61113994
4-amino-2-[methyl(3-methylbutyl)sulfamoyl]benzoic acid
CID 102931062
ethyl 2-[(5-amino-2,3-difluorophenyl)sulfonyl-methylamino]acetate
CID 65020877
5-amino-N-(2-cyanoethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide
CID 65020986
5-amino-3-fluoro-N,2-dimethyl-N-propylbenzenesulfonamide
CID 79896365
5-amino-N-(cyclopropylmethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide
CID 65021026

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-difluoro-N-methyl-N-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of 5-amino-2,3-difluoro-N-methyl-N-(3-methylbutyl)benzenesulfonamide (CID 65020963) is 5-amino-2,3-difluoro-N-methyl-N-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2,3-difluoro-N-methyl-N-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2,3-difluoro-N-methyl-N-(3-methylbutyl)benzenesulfonamide is CC(C)CCN(C)S(=O)(=O)c1cc(N)cc(F)c1F.
What is the InChIKey of 5-amino-2,3-difluoro-N-methyl-N-(3-methylbutyl)benzenesulfonamide?
The InChIKey is DHUFUZLVCXRDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2S/c1-8(2)4-5-16(3)19(17,18)11-7-9(15)6-10(13)12(11)14/h6-8H,4-5,15H2,1-3H3.
What are the key properties of 5-amino-2,3-difluoro-N-methyl-N-(3-methylbutyl)benzenesulfonamide?
5-amino-2,3-difluoro-N-methyl-N-(3-methylbutyl)benzenesulfonamide has a molecular weight of 292.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-difluoro-N-methyl-N-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 65020963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).