N-cyclopropyl-4-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide

C16H18N2O3S — CID 110723157

IUPACN-cyclopropyl-4-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(c2ccccn2)C2CC2)c(C)c1
InChIInChI=1S/C16H18N2O3S/c1-12-11-14(21-2)8-9-15(12)22(19,20)18(13-6-7-13)16-5-3-4-10-17-16/h3-5,8-11,13H,6-7H2,1-2H3
InChIKeyPWXGZDPMQSGUPP-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.76
Rot. Bonds5

About N-cyclopropyl-4-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide

N-cyclopropyl-4-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 110723157) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-cyclopropyl-4-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide
PubChem CID110723157
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-cyclopropyl-4-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(c2ccccn2)C2CC2)c(C)c1
InChIInChI=1S/C16H18N2O3S/c1-12-11-14(21-2)8-9-15(12)22(19,20)18(13-6-7-13)16-5-3-4-10-17-16/h3-5,8-11,13H,6-7H2,1-2H3
InChIKeyPWXGZDPMQSGUPP-UHFFFAOYSA-N
XLogP2.76
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-4-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide (CID 110723157) is N-cyclopropyl-4-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(c2ccccn2)C2CC2)c(C)c1.
What is the InChIKey of N-cyclopropyl-4-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is PWXGZDPMQSGUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-12-11-14(21-2)8-9-15(12)22(19,20)18(13-6-7-13)16-5-3-4-10-17-16/h3-5,8-11,13H,6-7H2,1-2H3.
What are the key properties of N-cyclopropyl-4-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide?
N-cyclopropyl-4-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 318.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 110723157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).