N-butyl-2-chloro-4-fluoro-N-phenylbenzenesulfonamide

C16H17ClFNO2S — CID 3706329

IUPACN-butyl-2-chloro-4-fluoro-N-phenylbenzenesulfonamide
SMILESCCCCN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C16H17ClFNO2S/c1-2-3-11-19(14-7-5-4-6-8-14)22(20,21)16-10-9-13(18)12-15(16)17/h4-10,12H,2-3,11H2,1H3
InChIKeyFSPVLZWWEQKFME-UHFFFAOYSA-N
MW341.83 g/mol
LogP4.47
Rot. Bonds6

About N-butyl-2-chloro-4-fluoro-N-phenylbenzenesulfonamide

N-butyl-2-chloro-4-fluoro-N-phenylbenzenesulfonamide (PubChem CID 3706329) has the molecular formula C16H17ClFNO2S and a molecular weight of 341.83 g/mol. Its IUPAC name is N-butyl-2-chloro-4-fluoro-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-2-chloro-4-fluoro-N-phenylbenzenesulfonamide
PubChem CID3706329
Molecular FormulaC16H17ClFNO2S
Molecular Weight341.83 g/mol
Exact Mass341.07
IUPAC NameN-butyl-2-chloro-4-fluoro-N-phenylbenzenesulfonamide
SMILESCCCCN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C16H17ClFNO2S/c1-2-3-11-19(14-7-5-4-6-8-14)22(20,21)16-10-9-13(18)12-15(16)17/h4-10,12H,2-3,11H2,1H3
InChIKeyFSPVLZWWEQKFME-UHFFFAOYSA-N
XLogP4.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.83
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-chloro-4-fluoro-N-phenylbenzenesulfonamide?
The IUPAC name of N-butyl-2-chloro-4-fluoro-N-phenylbenzenesulfonamide (CID 3706329) is N-butyl-2-chloro-4-fluoro-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-butyl-2-chloro-4-fluoro-N-phenylbenzenesulfonamide?
The canonical SMILES for N-butyl-2-chloro-4-fluoro-N-phenylbenzenesulfonamide is CCCCN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of N-butyl-2-chloro-4-fluoro-N-phenylbenzenesulfonamide?
The InChIKey is FSPVLZWWEQKFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2S/c1-2-3-11-19(14-7-5-4-6-8-14)22(20,21)16-10-9-13(18)12-15(16)17/h4-10,12H,2-3,11H2,1H3.
What are the key properties of N-butyl-2-chloro-4-fluoro-N-phenylbenzenesulfonamide?
N-butyl-2-chloro-4-fluoro-N-phenylbenzenesulfonamide has a molecular weight of 341.83 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloro-4-fluoro-N-phenylbenzenesulfonamide is sourced from PubChem (CID 3706329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).