N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide

C23H24ClN3O4S — CID 55770704

IUPACN-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccc(OCc3cccnc3)c2)ccc1Cl
InChIInChI=1S/C23H24ClN3O4S/c1-3-27(4-2)32(29,30)22-14-19(10-11-21(22)24)26-23(28)18-8-5-9-20(13-18)31-16-17-7-6-12-25-15-17/h5-15H,3-4,16H2,1-2H3,(H,26,28)
InChIKeyWFHGQZUFCRYUIU-UHFFFAOYSA-N
MW473.98 g/mol
LogP4.60
Rot. Bonds9

About N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide (PubChem CID 55770704) has the molecular formula C23H24ClN3O4S and a molecular weight of 473.98 g/mol. Its IUPAC name is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide
PubChem CID55770704
Molecular FormulaC23H24ClN3O4S
Molecular Weight473.98 g/mol
Exact Mass473.12
IUPAC NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccc(OCc3cccnc3)c2)ccc1Cl
InChIInChI=1S/C23H24ClN3O4S/c1-3-27(4-2)32(29,30)22-14-19(10-11-21(22)24)26-23(28)18-8-5-9-20(13-18)31-16-17-7-6-12-25-15-17/h5-15H,3-4,16H2,1-2H3,(H,26,28)
InChIKeyWFHGQZUFCRYUIU-UHFFFAOYSA-N
XLogP4.60
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.98
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[4-chloro-3-(diethylsulfamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55630897
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide
CID 55684932
N-[4-(ethylsulfonylamino)phenyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55960984
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(cyanomethyl)benzamide
CID 78884488
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-cyanobenzamide
CID 9101511
N-(3-fluoro-4-methoxyphenyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 55796689
N-(3,4-dichlorophenyl)-3-phenylmethoxybenzamide
CID 17148514
4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide
CID 119266237
N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
CID 146154896
3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide
CID 78889118
3,4-diethoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 60520684
N-(6-phenylmethoxy-3-pyridinyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 55880084

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide (CID 55770704) is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccc(OCc3cccnc3)c2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is WFHGQZUFCRYUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4S/c1-3-27(4-2)32(29,30)22-14-19(10-11-21(22)24)26-23(28)18-8-5-9-20(13-18)31-16-17-7-6-12-25-15-17/h5-15H,3-4,16H2,1-2H3,(H,26,28).
What are the key properties of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide?
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 473.98 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 55770704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).