N-[3-(3-methylazepin-3-yl)phenyl]cyclopropanesulfonamide

C16H18N2O2S — CID 174799070

IUPACN-[3-(3-methylazepin-3-yl)phenyl]cyclopropanesulfonamide
SMILESCC1(c2cccc(NS(=O)(=O)C3CC3)c2)C=CC=CN=C1
InChIInChI=1S/C16H18N2O2S/c1-16(9-2-3-10-17-12-16)13-5-4-6-14(11-13)18-21(19,20)15-7-8-15/h2-6,9-12,15,18H,7-8H2,1H3
InChIKeyTVXLSHMGQQGIHK-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.00
Rot. Bonds4

About N-[3-(3-methylazepin-3-yl)phenyl]cyclopropanesulfonamide

N-[3-(3-methylazepin-3-yl)phenyl]cyclopropanesulfonamide (PubChem CID 174799070) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[3-(3-methylazepin-3-yl)phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-(3-methylazepin-3-yl)phenyl]cyclopropanesulfonamide
PubChem CID174799070
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[3-(3-methylazepin-3-yl)phenyl]cyclopropanesulfonamide
SMILESCC1(c2cccc(NS(=O)(=O)C3CC3)c2)C=CC=CN=C1
InChIInChI=1S/C16H18N2O2S/c1-16(9-2-3-10-17-12-16)13-5-4-6-14(11-13)18-21(19,20)15-7-8-15/h2-6,9-12,15,18H,7-8H2,1H3
InChIKeyTVXLSHMGQQGIHK-UHFFFAOYSA-N
XLogP3.00
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(3-methylazepin-3-yl)phenyl]cyclopropanesulfonamide 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-[3-(3-methylazepin-3-yl)phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[3-(3-methylazepin-3-yl)phenyl]cyclopropanesulfonamide (CID 174799070) is N-[3-(3-methylazepin-3-yl)phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[3-(3-methylazepin-3-yl)phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[3-(3-methylazepin-3-yl)phenyl]cyclopropanesulfonamide is CC1(c2cccc(NS(=O)(=O)C3CC3)c2)C=CC=CN=C1.
What is the InChIKey of N-[3-(3-methylazepin-3-yl)phenyl]cyclopropanesulfonamide?
The InChIKey is TVXLSHMGQQGIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-16(9-2-3-10-17-12-16)13-5-4-6-14(11-13)18-21(19,20)15-7-8-15/h2-6,9-12,15,18H,7-8H2,1H3.
What are the key properties of N-[3-(3-methylazepin-3-yl)phenyl]cyclopropanesulfonamide?
N-[3-(3-methylazepin-3-yl)phenyl]cyclopropanesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylazepin-3-yl)phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 174799070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).