1-(4-chlorophenyl)sulfonyl-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide

C16H16ClN3O5S — CID 2326893

IUPAC1-(4-chlorophenyl)sulfonyl-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide
SMILESCOc1cc(OC)nc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C16H16ClN3O5S/c1-24-12-9-13(25-2)19-15(18-12)20-14(21)16(7-8-16)26(22,23)11-5-3-10(17)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,18,19,20,21)
InChIKeyFODVWIDNTOQMRY-UHFFFAOYSA-N
MW397.84 g/mol
LogP2.09
Rot. Bonds6

About 1-(4-chlorophenyl)sulfonyl-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide (PubChem CID 2326893) has the molecular formula C16H16ClN3O5S and a molecular weight of 397.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide
PubChem CID2326893
Molecular FormulaC16H16ClN3O5S
Molecular Weight397.84 g/mol
Exact Mass397.05
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide
SMILESCOc1cc(OC)nc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C16H16ClN3O5S/c1-24-12-9-13(25-2)19-15(18-12)20-14(21)16(7-8-16)26(22,23)11-5-3-10(17)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,18,19,20,21)
InChIKeyFODVWIDNTOQMRY-UHFFFAOYSA-N
XLogP2.09
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.84
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 15997698
1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)cyclopentane-1-carboxamide
CID 39675141
1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 5189805
1-(4-chlorophenyl)sulfonyl-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 15993585
1-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)cyclopropane-1-carboxamide
CID 2318019
methyl 1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxylate
CID 52542659
1-[(4-chlorophenyl)methyl]-3-(4,6-dimethoxypyrimidin-2-yl)thiourea
CID 100781397
4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 11734162
2-amino-4-chloro-N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 107624330
N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
CID 3434566
1-(4-chlorophenyl)sulfonyl-N-(4-ethylsulfonylphenyl)cyclopentane-1-carboxamide
CID 55496237
N-(5-acetamido-2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
CID 55917246

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide (CID 2326893) is 1-(4-chlorophenyl)sulfonyl-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide is COc1cc(OC)nc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide?
The InChIKey is FODVWIDNTOQMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O5S/c1-24-12-9-13(25-2)19-15(18-12)20-14(21)16(7-8-16)26(22,23)11-5-3-10(17)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,18,19,20,21).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide has a molecular weight of 397.84 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 2326893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).