N-(6-methyl-2-pyridinyl)-3-propan-2-ylsulfonylbenzamide

C16H18N2O3S — CID 18587150

IUPACN-(6-methyl-2-pyridinyl)-3-propan-2-ylsulfonylbenzamide
SMILESCc1cccc(NC(=O)c2cccc(S(=O)(=O)C(C)C)c2)n1
InChIInChI=1S/C16H18N2O3S/c1-11(2)22(20,21)14-8-5-7-13(10-14)16(19)18-15-9-4-6-12(3)17-15/h4-11H,1-3H3,(H,17,18,19)
InChIKeyCSAFHWFCMQVESA-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.82
Rot. Bonds4

About N-(6-methyl-2-pyridinyl)-3-propan-2-ylsulfonylbenzamide

N-(6-methyl-2-pyridinyl)-3-propan-2-ylsulfonylbenzamide (PubChem CID 18587150) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-3-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-3-propan-2-ylsulfonylbenzamide
PubChem CID18587150
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-(6-methyl-2-pyridinyl)-3-propan-2-ylsulfonylbenzamide
SMILESCc1cccc(NC(=O)c2cccc(S(=O)(=O)C(C)C)c2)n1
InChIInChI=1S/C16H18N2O3S/c1-11(2)22(20,21)14-8-5-7-13(10-14)16(19)18-15-9-4-6-12(3)17-15/h4-11H,1-3H3,(H,17,18,19)
InChIKeyCSAFHWFCMQVESA-UHFFFAOYSA-N
XLogP2.82
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-3-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-3-propan-2-ylsulfonylbenzamide (CID 18587150) is N-(6-methyl-2-pyridinyl)-3-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-3-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-3-propan-2-ylsulfonylbenzamide is Cc1cccc(NC(=O)c2cccc(S(=O)(=O)C(C)C)c2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-3-propan-2-ylsulfonylbenzamide?
The InChIKey is CSAFHWFCMQVESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-11(2)22(20,21)14-8-5-7-13(10-14)16(19)18-15-9-4-6-12(3)17-15/h4-11H,1-3H3,(H,17,18,19).
What are the key properties of N-(6-methyl-2-pyridinyl)-3-propan-2-ylsulfonylbenzamide?
N-(6-methyl-2-pyridinyl)-3-propan-2-ylsulfonylbenzamide has a molecular weight of 318.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-3-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 18587150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).