5-chloro-N-(5-chloro-2-methoxyphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide

C14H13Cl2N3O4S — CID 2992367

IUPAC5-chloro-N-(5-chloro-2-methoxyphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
SMILESCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C14H13Cl2N3O4S/c1-3-24(21,22)14-17-7-9(16)12(19-14)13(20)18-10-6-8(15)4-5-11(10)23-2/h4-7H,3H2,1-2H3,(H,18,20)
InChIKeyMFLOSHLLPQYSMC-UHFFFAOYSA-N
MW390.25 g/mol
LogP2.84
Rot. Bonds5

About 5-chloro-N-(5-chloro-2-methoxyphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide

5-chloro-N-(5-chloro-2-methoxyphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide (PubChem CID 2992367) has the molecular formula C14H13Cl2N3O4S and a molecular weight of 390.25 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-2-methoxyphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(5-chloro-2-methoxyphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
PubChem CID2992367
Molecular FormulaC14H13Cl2N3O4S
Molecular Weight390.25 g/mol
Exact Mass389.00
IUPAC Name5-chloro-N-(5-chloro-2-methoxyphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
SMILESCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C14H13Cl2N3O4S/c1-3-24(21,22)14-17-7-9(16)12(19-14)13(20)18-10-6-8(15)4-5-11(10)23-2/h4-7H,3H2,1-2H3,(H,18,20)
InChIKeyMFLOSHLLPQYSMC-UHFFFAOYSA-N
XLogP2.84
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.25
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-(2,5-dichlorophenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
CID 6456920
5-chloro-N-(2,3-dichlorophenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
CID 6457019
5-chloro-2-ethylsulfonyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 2990902
5,6-dichloro-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 4856255
N-(5-chloro-2-methoxyphenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 62171907
5-amino-N-(5-chloro-2-methoxyphenyl)pyridine-2-carboxamide
CID 81319684
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 41156292
N-(5-chloro-2-methoxyphenyl)-4-ethyl-2-methylsulfanylpyrimidine-5-carboxamide
CID 20913797
N-(5-chloro-2-methoxyphenyl)-1-ethylpyrazole-4-carboxamide
CID 35295311
N-(5-chloro-2-methoxyphenyl)quinoline-2-carboxamide
CID 2111763
4-amino-N-(5-chloro-2-methoxyphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688661
5-chloro-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-ethylsulfonylpyrimidine-4-carboxamide
CID 18880060

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloro-2-methoxyphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-(5-chloro-2-methoxyphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide (CID 2992367) is 5-chloro-N-(5-chloro-2-methoxyphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(5-chloro-2-methoxyphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(5-chloro-2-methoxyphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide is CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2cc(Cl)ccc2OC)n1.
What is the InChIKey of 5-chloro-N-(5-chloro-2-methoxyphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide?
The InChIKey is MFLOSHLLPQYSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O4S/c1-3-24(21,22)14-17-7-9(16)12(19-14)13(20)18-10-6-8(15)4-5-11(10)23-2/h4-7H,3H2,1-2H3,(H,18,20).
What are the key properties of 5-chloro-N-(5-chloro-2-methoxyphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide?
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide has a molecular weight of 390.25 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-chloro-2-methoxyphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide is sourced from PubChem (CID 2992367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).