3-chloro-N-[4-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-3-pyridinyl]-2-methylbenzenesulfonamide

C23H25Cl2N3O4S — CID 23122670

IUPAC3-chloro-N-[4-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-3-pyridinyl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1cnccc1OCc1ccc(Cl)c(OCCN(C)C)c1
InChIInChI=1S/C23H25Cl2N3O4S/c1-16-18(24)5-4-6-23(16)33(29,30)27-20-14-26-10-9-21(20)32-15-17-7-8-19(25)22(13-17)31-12-11-28(2)3/h4-10,13-14,27H,11-12,15H2,1-3H3
InChIKeyYUDSPKWXCAMHOV-UHFFFAOYSA-N
MW510.44 g/mol
LogP5.02
Rot. Bonds10

About 3-chloro-N-[4-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-3-pyridinyl]-2-methylbenzenesulfonamide

3-chloro-N-[4-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-3-pyridinyl]-2-methylbenzenesulfonamide (PubChem CID 23122670) has the molecular formula C23H25Cl2N3O4S and a molecular weight of 510.44 g/mol. Its IUPAC name is 3-chloro-N-[4-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-3-pyridinyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[4-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-3-pyridinyl]-2-methylbenzenesulfonamide
PubChem CID23122670
Molecular FormulaC23H25Cl2N3O4S
Molecular Weight510.44 g/mol
Exact Mass509.09
IUPAC Name3-chloro-N-[4-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-3-pyridinyl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1cnccc1OCc1ccc(Cl)c(OCCN(C)C)c1
InChIInChI=1S/C23H25Cl2N3O4S/c1-16-18(24)5-4-6-23(16)33(29,30)27-20-14-26-10-9-21(20)32-15-17-7-8-19(25)22(13-17)31-12-11-28(2)3/h4-10,13-14,27H,11-12,15H2,1-3H3
InChIKeyYUDSPKWXCAMHOV-UHFFFAOYSA-N
XLogP5.02
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.44
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-3-pyridinyl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[4-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-3-pyridinyl]-2-methylbenzenesulfonamide (CID 23122670) is 3-chloro-N-[4-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-3-pyridinyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[4-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-3-pyridinyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[4-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-3-pyridinyl]-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1cnccc1OCc1ccc(Cl)c(OCCN(C)C)c1.
What is the InChIKey of 3-chloro-N-[4-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-3-pyridinyl]-2-methylbenzenesulfonamide?
The InChIKey is YUDSPKWXCAMHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O4S/c1-16-18(24)5-4-6-23(16)33(29,30)27-20-14-26-10-9-21(20)32-15-17-7-8-19(25)22(13-17)31-12-11-28(2)3/h4-10,13-14,27H,11-12,15H2,1-3H3.
What are the key properties of 3-chloro-N-[4-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-3-pyridinyl]-2-methylbenzenesulfonamide?
3-chloro-N-[4-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-3-pyridinyl]-2-methylbenzenesulfonamide has a molecular weight of 510.44 g/mol, XLogP of 5.02, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-3-pyridinyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 23122670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).