4-chloro-N-[(3-fluorophenyl)methyl]-N-(3-methylbutyl)benzenesulfonamide

C18H21ClFNO2S — CID 71555967

IUPAC4-chloro-N-[(3-fluorophenyl)methyl]-N-(3-methylbutyl)benzenesulfonamide
SMILESCC(C)CCN(Cc1cccc(F)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClFNO2S/c1-14(2)10-11-21(13-15-4-3-5-17(20)12-15)24(22,23)18-8-6-16(19)7-9-18/h3-9,12,14H,10-11,13H2,1-2H3
InChIKeyAAEPANODURIBMU-UHFFFAOYSA-N
MW369.89 g/mol
LogP4.72
Rot. Bonds7

About 4-chloro-N-[(3-fluorophenyl)methyl]-N-(3-methylbutyl)benzenesulfonamide

4-chloro-N-[(3-fluorophenyl)methyl]-N-(3-methylbutyl)benzenesulfonamide (PubChem CID 71555967) has the molecular formula C18H21ClFNO2S and a molecular weight of 369.89 g/mol. Its IUPAC name is 4-chloro-N-[(3-fluorophenyl)methyl]-N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(3-fluorophenyl)methyl]-N-(3-methylbutyl)benzenesulfonamide
PubChem CID71555967
Molecular FormulaC18H21ClFNO2S
Molecular Weight369.89 g/mol
Exact Mass369.10
IUPAC Name4-chloro-N-[(3-fluorophenyl)methyl]-N-(3-methylbutyl)benzenesulfonamide
SMILESCC(C)CCN(Cc1cccc(F)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClFNO2S/c1-14(2)10-11-21(13-15-4-3-5-17(20)12-15)24(22,23)18-8-6-16(19)7-9-18/h3-9,12,14H,10-11,13H2,1-2H3
InChIKeyAAEPANODURIBMU-UHFFFAOYSA-N
XLogP4.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-fluorophenyl)methyl]-N-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(3-fluorophenyl)methyl]-N-(3-methylbutyl)benzenesulfonamide (CID 71555967) is 4-chloro-N-[(3-fluorophenyl)methyl]-N-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(3-fluorophenyl)methyl]-N-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(3-fluorophenyl)methyl]-N-(3-methylbutyl)benzenesulfonamide is CC(C)CCN(Cc1cccc(F)c1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(3-fluorophenyl)methyl]-N-(3-methylbutyl)benzenesulfonamide?
The InChIKey is AAEPANODURIBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFNO2S/c1-14(2)10-11-21(13-15-4-3-5-17(20)12-15)24(22,23)18-8-6-16(19)7-9-18/h3-9,12,14H,10-11,13H2,1-2H3.
What are the key properties of 4-chloro-N-[(3-fluorophenyl)methyl]-N-(3-methylbutyl)benzenesulfonamide?
4-chloro-N-[(3-fluorophenyl)methyl]-N-(3-methylbutyl)benzenesulfonamide has a molecular weight of 369.89 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-fluorophenyl)methyl]-N-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 71555967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).