2-fluoro-4,5-dimethoxy-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride

C16H26ClFN2O4S — CID 134006741

IUPAC2-fluoro-4,5-dimethoxy-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCCCN1CCC(NS(=O)(=O)c2cc(OC)c(OC)cc2F)CC1.Cl
InChIInChI=1S/C16H25FN2O4S.ClH/c1-4-7-19-8-5-12(6-9-19)18-24(20,21)16-11-15(23-3)14(22-2)10-13(16)17;/h10-12,18H,4-9H2,1-3H3;1H
InChIKeyIAXUZMUQVDMKIT-UHFFFAOYSA-N
MW396.91 g/mol
LogP2.42
Rot. Bonds7

About 2-fluoro-4,5-dimethoxy-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride

2-fluoro-4,5-dimethoxy-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride (PubChem CID 134006741) has the molecular formula C16H26ClFN2O4S and a molecular weight of 396.91 g/mol. Its IUPAC name is 2-fluoro-4,5-dimethoxy-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-4,5-dimethoxy-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
PubChem CID134006741
Molecular FormulaC16H26ClFN2O4S
Molecular Weight396.91 g/mol
Exact Mass396.13
IUPAC Name2-fluoro-4,5-dimethoxy-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCCCN1CCC(NS(=O)(=O)c2cc(OC)c(OC)cc2F)CC1.Cl
InChIInChI=1S/C16H25FN2O4S.ClH/c1-4-7-19-8-5-12(6-9-19)18-24(20,21)16-11-15(23-3)14(22-2)10-13(16)17;/h10-12,18H,4-9H2,1-3H3;1H
InChIKeyIAXUZMUQVDMKIT-UHFFFAOYSA-N
XLogP2.42
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.91
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dimethoxy-2-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 134006739
2-fluoro-4,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686087
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide;hydrochloride
CID 119967957
3,4-difluoro-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 22772626
2,5-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 60664808
2,4-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 61059201
ethyl 4-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 35308238
N-(cyclopropylmethyl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 35324081
4-methylsulfonyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 55538300
N-[1-(2-aminoethyl)piperidin-4-yl]-2,5-difluorobenzenesulfonamide
CID 63632016
2-nitro-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 22772629
3-[(1-propylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 60709073

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,5-dimethoxy-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 2-fluoro-4,5-dimethoxy-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride (CID 134006741) is 2-fluoro-4,5-dimethoxy-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-fluoro-4,5-dimethoxy-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-fluoro-4,5-dimethoxy-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride is CCCN1CCC(NS(=O)(=O)c2cc(OC)c(OC)cc2F)CC1.Cl.
What is the InChIKey of 2-fluoro-4,5-dimethoxy-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The InChIKey is IAXUZMUQVDMKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O4S.ClH/c1-4-7-19-8-5-12(6-9-19)18-24(20,21)16-11-15(23-3)14(22-2)10-13(16)17;/h10-12,18H,4-9H2,1-3H3;1H.
What are the key properties of 2-fluoro-4,5-dimethoxy-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
2-fluoro-4,5-dimethoxy-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride has a molecular weight of 396.91 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,5-dimethoxy-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 134006741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).