1-(4-methylphenyl)sulfonyl-N-pyridin-3-ylcyclopropane-1-carboxamide

C16H16N2O3S — CID 3432341

IUPAC1-(4-methylphenyl)sulfonyl-N-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)Nc3cccnc3)CC2)cc1
InChIInChI=1S/C16H16N2O3S/c1-12-4-6-14(7-5-12)22(20,21)16(8-9-16)15(19)18-13-3-2-10-17-11-13/h2-7,10-11H,8-9H2,1H3,(H,18,19)
InChIKeyGNWISSSDOMMNEC-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.34
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-N-pyridin-3-ylcyclopropane-1-carboxamide

1-(4-methylphenyl)sulfonyl-N-pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 3432341) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-pyridin-3-ylcyclopropane-1-carboxamide
PubChem CID3432341
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name1-(4-methylphenyl)sulfonyl-N-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)Nc3cccnc3)CC2)cc1
InChIInChI=1S/C16H16N2O3S/c1-12-4-6-14(7-5-12)22(20,21)16(8-9-16)15(19)18-13-3-2-10-17-11-13/h2-7,10-11H,8-9H2,1H3,(H,18,19)
InChIKeyGNWISSSDOMMNEC-UHFFFAOYSA-N
XLogP2.34
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-pyridin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-pyridin-3-ylcyclopropane-1-carboxamide (CID 3432341) is 1-(4-methylphenyl)sulfonyl-N-pyridin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-pyridin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-pyridin-3-ylcyclopropane-1-carboxamide is Cc1ccc(S(=O)(=O)C2(C(=O)Nc3cccnc3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-pyridin-3-ylcyclopropane-1-carboxamide?
The InChIKey is GNWISSSDOMMNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-12-4-6-14(7-5-12)22(20,21)16(8-9-16)15(19)18-13-3-2-10-17-11-13/h2-7,10-11H,8-9H2,1H3,(H,18,19).
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-pyridin-3-ylcyclopropane-1-carboxamide?
1-(4-methylphenyl)sulfonyl-N-pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N-pyridin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 3432341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).