N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-3,4-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide

C24H24ClF2NO5S — CID 58941309

IUPACN-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-3,4-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(c1ccc(Cl)cc1Cc1c(F)cccc1F)S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H24ClF2NO5S/c1-31-12-11-28(34(29,30)18-8-10-23(32-2)24(15-18)33-3)22-9-7-17(25)13-16(22)14-19-20(26)5-4-6-21(19)27/h4-10,13,15H,11-12,14H2,1-3H3
InChIKeyHZSVGFLLSZIKCL-UHFFFAOYSA-N
MW511.97 g/mol
LogP5.07
Rot. Bonds10

About N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-3,4-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide

N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-3,4-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 58941309) has the molecular formula C24H24ClF2NO5S and a molecular weight of 511.97 g/mol. Its IUPAC name is N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-3,4-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-3,4-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID58941309
Molecular FormulaC24H24ClF2NO5S
Molecular Weight511.97 g/mol
Exact Mass511.10
IUPAC NameN-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-3,4-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(c1ccc(Cl)cc1Cc1c(F)cccc1F)S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H24ClF2NO5S/c1-31-12-11-28(34(29,30)18-8-10-23(32-2)24(15-18)33-3)22-9-7-17(25)13-16(22)14-19-20(26)5-4-6-21(19)27/h4-10,13,15H,11-12,14H2,1-3H3
InChIKeyHZSVGFLLSZIKCL-UHFFFAOYSA-N
XLogP5.07
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.97
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-3,4-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-3,4-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide (CID 58941309) is N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-3,4-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-3,4-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-3,4-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide is COCCN(c1ccc(Cl)cc1Cc1c(F)cccc1F)S(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-3,4-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is HZSVGFLLSZIKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF2NO5S/c1-31-12-11-28(34(29,30)18-8-10-23(32-2)24(15-18)33-3)22-9-7-17(25)13-16(22)14-19-20(26)5-4-6-21(19)27/h4-10,13,15H,11-12,14H2,1-3H3.
What are the key properties of N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-3,4-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide?
N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-3,4-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 511.97 g/mol, XLogP of 5.07, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-3,4-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 58941309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).