N-[2-(3-methylphenoxy)phenyl]propane-2-sulfonamide

C16H19NO3S — CID 62999101

IUPACN-[2-(3-methylphenoxy)phenyl]propane-2-sulfonamide
SMILESCc1cccc(Oc2ccccc2NS(=O)(=O)C(C)C)c1
InChIInChI=1S/C16H19NO3S/c1-12(2)21(18,19)17-15-9-4-5-10-16(15)20-14-8-6-7-13(3)11-14/h4-12,17H,1-3H3
InChIKeySFTREKVREAWVQJ-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.94
Rot. Bonds5

About N-[2-(3-methylphenoxy)phenyl]propane-2-sulfonamide

N-[2-(3-methylphenoxy)phenyl]propane-2-sulfonamide (PubChem CID 62999101) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)phenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)phenyl]propane-2-sulfonamide
PubChem CID62999101
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[2-(3-methylphenoxy)phenyl]propane-2-sulfonamide
SMILESCc1cccc(Oc2ccccc2NS(=O)(=O)C(C)C)c1
InChIInChI=1S/C16H19NO3S/c1-12(2)21(18,19)17-15-9-4-5-10-16(15)20-14-8-6-7-13(3)11-14/h4-12,17H,1-3H3
InChIKeySFTREKVREAWVQJ-UHFFFAOYSA-N
XLogP3.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(3-methylphenoxy)phenyl]propane-2-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-[2-(3-methylphenoxy)phenyl]propanamide
CID 78973374
N-[2-(3-methylphenoxy)phenyl]-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
CID 25325741
4-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide;hydrochloride
CID 120558964
2-amino-N-[2-(3-methylphenoxy)phenyl]acetamide
CID 61260248
2-(3-methylphenoxy)phenol
CID 22051950
1,2,3-tris(3-methylphenoxy)benzene
CID 139940681
2-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide
CID 119266448
N-[[2-(3-methylphenoxy)phenyl]methyl]propan-2-amine
CID 43283112
N-(2,5-dimethylphenyl)propane-2-sulfonamide
CID 62997790
N-[2-(3-methylphenoxy)phenyl]piperidine-4-carboxamide
CID 119266446
(2R)-2-(3-methylphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 28573798
N-[6-(3-methylphenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide
CID 57195670

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)phenyl]propane-2-sulfonamide?
The IUPAC name of N-[2-(3-methylphenoxy)phenyl]propane-2-sulfonamide (CID 62999101) is N-[2-(3-methylphenoxy)phenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-(3-methylphenoxy)phenyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-(3-methylphenoxy)phenyl]propane-2-sulfonamide is Cc1cccc(Oc2ccccc2NS(=O)(=O)C(C)C)c1.
What is the InChIKey of N-[2-(3-methylphenoxy)phenyl]propane-2-sulfonamide?
The InChIKey is SFTREKVREAWVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-12(2)21(18,19)17-15-9-4-5-10-16(15)20-14-8-6-7-13(3)11-14/h4-12,17H,1-3H3.
What are the key properties of N-[2-(3-methylphenoxy)phenyl]propane-2-sulfonamide?
N-[2-(3-methylphenoxy)phenyl]propane-2-sulfonamide has a molecular weight of 305.40 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)phenyl]propane-2-sulfonamide is sourced from PubChem (CID 62999101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).