5-chloro-2-ethylsulfonyl-N-pyridin-2-ylpyrimidine-4-carboxamide

C12H11ClN4O3S — CID 19245788

IUPAC5-chloro-2-ethylsulfonyl-N-pyridin-2-ylpyrimidine-4-carboxamide
SMILESCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccccn2)n1
InChIInChI=1S/C12H11ClN4O3S/c1-2-21(19,20)12-15-7-8(13)10(17-12)11(18)16-9-5-3-4-6-14-9/h3-7H,2H2,1H3,(H,14,16,18)
InChIKeyNNTKIRZMKGZMHV-UHFFFAOYSA-N
MW326.77 g/mol
LogP1.57
Rot. Bonds4

About 5-chloro-2-ethylsulfonyl-N-pyridin-2-ylpyrimidine-4-carboxamide

5-chloro-2-ethylsulfonyl-N-pyridin-2-ylpyrimidine-4-carboxamide (PubChem CID 19245788) has the molecular formula C12H11ClN4O3S and a molecular weight of 326.77 g/mol. Its IUPAC name is 5-chloro-2-ethylsulfonyl-N-pyridin-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-ethylsulfonyl-N-pyridin-2-ylpyrimidine-4-carboxamide
PubChem CID19245788
Molecular FormulaC12H11ClN4O3S
Molecular Weight326.77 g/mol
Exact Mass326.02
IUPAC Name5-chloro-2-ethylsulfonyl-N-pyridin-2-ylpyrimidine-4-carboxamide
SMILESCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccccn2)n1
InChIInChI=1S/C12H11ClN4O3S/c1-2-21(19,20)12-15-7-8(13)10(17-12)11(18)16-9-5-3-4-6-14-9/h3-7H,2H2,1H3,(H,14,16,18)
InChIKeyNNTKIRZMKGZMHV-UHFFFAOYSA-N
XLogP1.57
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.77
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-ethylsulfonyl-N-(6-methyl-2-pyridinyl)pyrimidine-4-carboxamide
CID 19245791
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-chloro-N-(2,5-dichlorophenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
CID 6456920
5-chloro-2-ethylsulfonyl-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 2988172
5-chloro-N-(2,3-dichlorophenyl)-2-propylsulfonylpyrimidine-4-carboxamide
CID 18879986
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
CID 2992367
5-chloro-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-ethylsulfonylpyrimidine-4-carboxamide
CID 18880060
phenyl 5-chloro-2-ethylsulfonylpyrimidine-4-carboxylate
CID 39835107
5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-ethylsulfonylpyrimidine-4-carboxamide
CID 18880073
N-(4-bromophenyl)-5-chloro-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide
CID 19119637
methyl 2-[(5-chloro-2-ethylsulfonylpyrimidine-4-carbonyl)-methylamino]benzoate
CID 19245754

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethylsulfonyl-N-pyridin-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-2-ethylsulfonyl-N-pyridin-2-ylpyrimidine-4-carboxamide (CID 19245788) is 5-chloro-2-ethylsulfonyl-N-pyridin-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-ethylsulfonyl-N-pyridin-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-2-ethylsulfonyl-N-pyridin-2-ylpyrimidine-4-carboxamide is CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccccn2)n1.
What is the InChIKey of 5-chloro-2-ethylsulfonyl-N-pyridin-2-ylpyrimidine-4-carboxamide?
The InChIKey is NNTKIRZMKGZMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O3S/c1-2-21(19,20)12-15-7-8(13)10(17-12)11(18)16-9-5-3-4-6-14-9/h3-7H,2H2,1H3,(H,14,16,18).
What are the key properties of 5-chloro-2-ethylsulfonyl-N-pyridin-2-ylpyrimidine-4-carboxamide?
5-chloro-2-ethylsulfonyl-N-pyridin-2-ylpyrimidine-4-carboxamide has a molecular weight of 326.77 g/mol, XLogP of 1.57, 4 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-pyridin-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 19245788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).