N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide

C16H18ClN3O4S — CID 113070266

IUPACN-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(N(CCNC(=O)c2cccnc2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C16H18ClN3O4S/c1-24-15-6-5-13(10-14(15)17)20(25(2,22)23)9-8-19-16(21)12-4-3-7-18-11-12/h3-7,10-11H,8-9H2,1-2H3,(H,19,21)
InChIKeyREHCTOQSFBREFD-UHFFFAOYSA-N
MW383.86 g/mol
LogP1.94
Rot. Bonds7

About N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide

N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide (PubChem CID 113070266) has the molecular formula C16H18ClN3O4S and a molecular weight of 383.86 g/mol. Its IUPAC name is N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide
PubChem CID113070266
Molecular FormulaC16H18ClN3O4S
Molecular Weight383.86 g/mol
Exact Mass383.07
IUPAC NameN-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(N(CCNC(=O)c2cccnc2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C16H18ClN3O4S/c1-24-15-6-5-13(10-14(15)17)20(25(2,22)23)9-8-19-16(21)12-4-3-7-18-11-12/h3-7,10-11H,8-9H2,1-2H3,(H,19,21)
InChIKeyREHCTOQSFBREFD-UHFFFAOYSA-N
XLogP1.94
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide
CID 113070510
N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]acetamide
CID 113070248
N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
CID 113070260
N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide
CID 113069126
N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 731708
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 99942412
N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide
CID 113070892
N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethoxybenzamide
CID 113071490
3-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113145189
4-methoxy-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]benzamide
CID 113070434
1-(3-chloro-4-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione
CID 58626094
N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]acetamide
CID 113071916

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide (CID 113070266) is N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide is COc1ccc(N(CCNC(=O)c2cccnc2)S(C)(=O)=O)cc1Cl.
What is the InChIKey of N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide?
The InChIKey is REHCTOQSFBREFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4S/c1-24-15-6-5-13(10-14(15)17)20(25(2,22)23)9-8-19-16(21)12-4-3-7-18-11-12/h3-7,10-11H,8-9H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide?
N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide has a molecular weight of 383.86 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 113070266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).