4-amino-2,6-difluoro-N-methyl-N-pentylbenzenesulfonamide

C12H18F2N2O2S — CID 54888877

IUPAC4-amino-2,6-difluoro-N-methyl-N-pentylbenzenesulfonamide
SMILESCCCCCN(C)S(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C12H18F2N2O2S/c1-3-4-5-6-16(2)19(17,18)12-10(13)7-9(15)8-11(12)14/h7-8H,3-6,15H2,1-2H3
InChIKeyYSAFSGGHOJJTRT-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.36
Rot. Bonds6

About 4-amino-2,6-difluoro-N-methyl-N-pentylbenzenesulfonamide

4-amino-2,6-difluoro-N-methyl-N-pentylbenzenesulfonamide (PubChem CID 54888877) has the molecular formula C12H18F2N2O2S and a molecular weight of 292.35 g/mol. Its IUPAC name is 4-amino-2,6-difluoro-N-methyl-N-pentylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-difluoro-N-methyl-N-pentylbenzenesulfonamide
PubChem CID54888877
Molecular FormulaC12H18F2N2O2S
Molecular Weight292.35 g/mol
Exact Mass292.11
IUPAC Name4-amino-2,6-difluoro-N-methyl-N-pentylbenzenesulfonamide
SMILESCCCCCN(C)S(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C12H18F2N2O2S/c1-3-4-5-6-16(2)19(17,18)12-10(13)7-9(15)8-11(12)14/h7-8H,3-6,15H2,1-2H3
InChIKeyYSAFSGGHOJJTRT-UHFFFAOYSA-N
XLogP2.36
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849886
3,5-difluoro-4-pentylsulfonylaniline
CID 61368233
3,5-difluoro-4-hexylsulfonylaniline
CID 61366705
3,5-difluoro-4-nonylsulfonylaniline
CID 61366703
4-amino-2,6-difluoro-N,N-dimethylbenzenesulfonamide
CID 60984863
4-[3-(dimethylamino)propylsulfonyl]-3,5-difluoroaniline
CID 114526479
N-(5-bromopentyl)-2,4,6-trifluoro-N-methylbenzenesulfonamide
CID 107206320
5-amino-3-fluoro-N,2-dimethyl-N-propylbenzenesulfonamide
CID 79896365
4-amino-2,6-difluoro-N-methoxy-N-methylbenzenesulfonamide
CID 60985983
2,3-difluoro-5-(hydroxymethyl)-N-methyl-N-pentylbenzenesulfonamide
CID 105116983
5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 65023425
N-butyl-2-fluoro-6-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 60985894

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-difluoro-N-methyl-N-pentylbenzenesulfonamide?
The IUPAC name of 4-amino-2,6-difluoro-N-methyl-N-pentylbenzenesulfonamide (CID 54888877) is 4-amino-2,6-difluoro-N-methyl-N-pentylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-difluoro-N-methyl-N-pentylbenzenesulfonamide?
The canonical SMILES for 4-amino-2,6-difluoro-N-methyl-N-pentylbenzenesulfonamide is CCCCCN(C)S(=O)(=O)c1c(F)cc(N)cc1F.
What is the InChIKey of 4-amino-2,6-difluoro-N-methyl-N-pentylbenzenesulfonamide?
The InChIKey is YSAFSGGHOJJTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2S/c1-3-4-5-6-16(2)19(17,18)12-10(13)7-9(15)8-11(12)14/h7-8H,3-6,15H2,1-2H3.
What are the key properties of 4-amino-2,6-difluoro-N-methyl-N-pentylbenzenesulfonamide?
4-amino-2,6-difluoro-N-methyl-N-pentylbenzenesulfonamide has a molecular weight of 292.35 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-difluoro-N-methyl-N-pentylbenzenesulfonamide is sourced from PubChem (CID 54888877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).