N-(3,4-dipropoxyphenyl)-3-fluorobenzenesulfonamide

C18H22FNO4S — CID 26949915

IUPACN-(3,4-dipropoxyphenyl)-3-fluorobenzenesulfonamide
SMILESCCCOc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1OCCC
InChIInChI=1S/C18H22FNO4S/c1-3-10-23-17-9-8-15(13-18(17)24-11-4-2)20-25(21,22)16-7-5-6-14(19)12-16/h5-9,12-13,20H,3-4,10-11H2,1-2H3
InChIKeyBYOPXWXQEDGWIS-UHFFFAOYSA-N
MW367.44 g/mol
LogP4.20
Rot. Bonds9

About N-(3,4-dipropoxyphenyl)-3-fluorobenzenesulfonamide

N-(3,4-dipropoxyphenyl)-3-fluorobenzenesulfonamide (PubChem CID 26949915) has the molecular formula C18H22FNO4S and a molecular weight of 367.44 g/mol. Its IUPAC name is N-(3,4-dipropoxyphenyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dipropoxyphenyl)-3-fluorobenzenesulfonamide
PubChem CID26949915
Molecular FormulaC18H22FNO4S
Molecular Weight367.44 g/mol
Exact Mass367.13
IUPAC NameN-(3,4-dipropoxyphenyl)-3-fluorobenzenesulfonamide
SMILESCCCOc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1OCCC
InChIInChI=1S/C18H22FNO4S/c1-3-10-23-17-9-8-15(13-18(17)24-11-4-2)20-25(21,22)16-7-5-6-14(19)12-16/h5-9,12-13,20H,3-4,10-11H2,1-2H3
InChIKeyBYOPXWXQEDGWIS-UHFFFAOYSA-N
XLogP4.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxypyrimidin-5-yl)-3-fluorobenzenesulfonamide
CID 122301898
1-N,3-N-bis(4-fluoro-3-propoxyphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 141157115
3-fluoro-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 42474858
3-fluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzenesulfonamide
CID 24621918
3-cyano-N-(4-fluorophenyl)-4-propoxybenzenesulfonamide
CID 171134204
N-(3-amino-4-methylphenyl)-3-fluorobenzenesulfonamide
CID 24708334
N-[4-(bromomethyl)phenyl]-3-fluorobenzenesulfonamide
CID 114296663
ethyl 2-[3-[(3-fluorophenyl)sulfonylamino]phenoxy]acetate
CID 39340829
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-disulfonamide
CID 49186407
N-[3-(aminomethyl)phenyl]-3-fluorobenzenesulfonamide
CID 16778006
3-fluoro-N-propylbenzenesulfonamide
CID 43212857
3,5-dichloro-N-(3,4-diethoxyphenyl)benzenesulfonamide
CID 8851611

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dipropoxyphenyl)-3-fluorobenzenesulfonamide?
The IUPAC name of N-(3,4-dipropoxyphenyl)-3-fluorobenzenesulfonamide (CID 26949915) is N-(3,4-dipropoxyphenyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3,4-dipropoxyphenyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(3,4-dipropoxyphenyl)-3-fluorobenzenesulfonamide is CCCOc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1OCCC.
What is the InChIKey of N-(3,4-dipropoxyphenyl)-3-fluorobenzenesulfonamide?
The InChIKey is BYOPXWXQEDGWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO4S/c1-3-10-23-17-9-8-15(13-18(17)24-11-4-2)20-25(21,22)16-7-5-6-14(19)12-16/h5-9,12-13,20H,3-4,10-11H2,1-2H3.
What are the key properties of N-(3,4-dipropoxyphenyl)-3-fluorobenzenesulfonamide?
N-(3,4-dipropoxyphenyl)-3-fluorobenzenesulfonamide has a molecular weight of 367.44 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dipropoxyphenyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 26949915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).