5-chloro-2-ethylsulfonyl-N-(4-methoxyphenyl)pyrimidine-4-carboxamide

C14H14ClN3O4S — CID 2988172

IUPAC5-chloro-2-ethylsulfonyl-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(OC)cc2)n1
InChIInChI=1S/C14H14ClN3O4S/c1-3-23(20,21)14-16-8-11(15)12(18-14)13(19)17-9-4-6-10(22-2)7-5-9/h4-8H,3H2,1-2H3,(H,17,19)
InChIKeyPHBKVCRXIZOBIO-UHFFFAOYSA-N
MW355.80 g/mol
LogP2.18
Rot. Bonds5

About 5-chloro-2-ethylsulfonyl-N-(4-methoxyphenyl)pyrimidine-4-carboxamide

5-chloro-2-ethylsulfonyl-N-(4-methoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 2988172) has the molecular formula C14H14ClN3O4S and a molecular weight of 355.80 g/mol. Its IUPAC name is 5-chloro-2-ethylsulfonyl-N-(4-methoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-ethylsulfonyl-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
PubChem CID2988172
Molecular FormulaC14H14ClN3O4S
Molecular Weight355.80 g/mol
Exact Mass355.04
IUPAC Name5-chloro-2-ethylsulfonyl-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(OC)cc2)n1
InChIInChI=1S/C14H14ClN3O4S/c1-3-23(20,21)14-16-8-11(15)12(18-14)13(19)17-9-4-6-10(22-2)7-5-9/h4-8H,3H2,1-2H3,(H,17,19)
InChIKeyPHBKVCRXIZOBIO-UHFFFAOYSA-N
XLogP2.18
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-ethylsulfonyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 2990902
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
CID 2992367
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-pyridin-2-ylpyrimidine-4-carboxamide
CID 19245788
5-chloro-2-ethylsulfonyl-N-(6-methyl-2-pyridinyl)pyrimidine-4-carboxamide
CID 19245791
5-chloro-N-[2-[(4-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl]-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide
CID 19119763
N-(4-bromophenyl)-5-chloro-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide
CID 19119637
phenyl 5-chloro-2-ethylsulfonylpyrimidine-4-carboxylate
CID 39835107
5-chloro-N-(2,3-dichlorophenyl)-2-propylsulfonylpyrimidine-4-carboxamide
CID 18879986
5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-ethylsulfonylpyrimidine-4-carboxamide
CID 18880073
5-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-propylsulfonylpyrimidine-4-carboxamide
CID 18880120

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethylsulfonyl-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-2-ethylsulfonyl-N-(4-methoxyphenyl)pyrimidine-4-carboxamide (CID 2988172) is 5-chloro-2-ethylsulfonyl-N-(4-methoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-ethylsulfonyl-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-2-ethylsulfonyl-N-(4-methoxyphenyl)pyrimidine-4-carboxamide is CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(OC)cc2)n1.
What is the InChIKey of 5-chloro-2-ethylsulfonyl-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is PHBKVCRXIZOBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O4S/c1-3-23(20,21)14-16-8-11(15)12(18-14)13(19)17-9-4-6-10(22-2)7-5-9/h4-8H,3H2,1-2H3,(H,17,19).
What are the key properties of 5-chloro-2-ethylsulfonyl-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
5-chloro-2-ethylsulfonyl-N-(4-methoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 355.80 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethylsulfonyl-N-(4-methoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 2988172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).