N-(3-chlorobutyl)-2,5-difluorobenzenesulfonamide

C10H12ClF2NO2S — CID 65032947

IUPACN-(3-chlorobutyl)-2,5-difluorobenzenesulfonamide
SMILESCC(Cl)CCNS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C10H12ClF2NO2S/c1-7(11)4-5-14-17(15,16)10-6-8(12)2-3-9(10)13/h2-3,6-7,14H,4-5H2,1H3
InChIKeyHWIGKGFISTZXHZ-UHFFFAOYSA-N
MW283.73 g/mol
LogP2.26
Rot. Bonds5

About N-(3-chlorobutyl)-2,5-difluorobenzenesulfonamide

N-(3-chlorobutyl)-2,5-difluorobenzenesulfonamide (PubChem CID 65032947) has the molecular formula C10H12ClF2NO2S and a molecular weight of 283.73 g/mol. Its IUPAC name is N-(3-chlorobutyl)-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chlorobutyl)-2,5-difluorobenzenesulfonamide
PubChem CID65032947
Molecular FormulaC10H12ClF2NO2S
Molecular Weight283.73 g/mol
Exact Mass283.02
IUPAC NameN-(3-chlorobutyl)-2,5-difluorobenzenesulfonamide
SMILESCC(Cl)CCNS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C10H12ClF2NO2S/c1-7(11)4-5-14-17(15,16)10-6-8(12)2-3-9(10)13/h2-3,6-7,14H,4-5H2,1H3
InChIKeyHWIGKGFISTZXHZ-UHFFFAOYSA-N
XLogP2.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromopentyl)-2,5-difluorobenzenesulfonamide
CID 106135621
N-[2-[di(propan-2-yl)amino]ethyl]-2,5-difluorobenzenesulfonamide
CID 78808057
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725
5-bromo-2-fluoro-N-(3-methylbutyl)benzenesulfonamide
CID 52821008
2,5-difluoro-N-pent-3-ynylbenzenesulfonamide
CID 115977957
5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64928220
N-(6-aminohexyl)-2,5-difluorobenzenesulfonamide
CID 107844397
2-fluoro-5-(hydroxymethyl)-N-(3-methylbutyl)benzenesulfonamide
CID 114132457
2,5-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide
CID 90524514
2,5-difluoro-N-pent-4-ynylbenzenesulfonamide
CID 103698123
N-[3-(2-chloroethoxy)propyl]-2,5-difluorobenzenesulfonamide
CID 106305837
methyl 4-fluoro-2-(3-hydroxybutylsulfamoyl)benzoate
CID 103837921

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorobutyl)-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-(3-chlorobutyl)-2,5-difluorobenzenesulfonamide (CID 65032947) is N-(3-chlorobutyl)-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(3-chlorobutyl)-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(3-chlorobutyl)-2,5-difluorobenzenesulfonamide is CC(Cl)CCNS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of N-(3-chlorobutyl)-2,5-difluorobenzenesulfonamide?
The InChIKey is HWIGKGFISTZXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2NO2S/c1-7(11)4-5-14-17(15,16)10-6-8(12)2-3-9(10)13/h2-3,6-7,14H,4-5H2,1H3.
What are the key properties of N-(3-chlorobutyl)-2,5-difluorobenzenesulfonamide?
N-(3-chlorobutyl)-2,5-difluorobenzenesulfonamide has a molecular weight of 283.73 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorobutyl)-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 65032947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).