4-(cyclopropylmethoxy)-2,3-dimethylbenzenesulfonamide

C12H17NO3S — CID 43560584

IUPAC4-(cyclopropylmethoxy)-2,3-dimethylbenzenesulfonamide
SMILESCc1c(OCC2CC2)ccc(S(N)(=O)=O)c1C
InChIInChI=1S/C12H17NO3S/c1-8-9(2)12(17(13,14)15)6-5-11(8)16-7-10-3-4-10/h5-6,10H,3-4,7H2,1-2H3,(H2,13,14,15)
InChIKeySBXDYBRSMLYYNO-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.74
Rot. Bonds4

About 4-(cyclopropylmethoxy)-2,3-dimethylbenzenesulfonamide

4-(cyclopropylmethoxy)-2,3-dimethylbenzenesulfonamide (PubChem CID 43560584) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-2,3-dimethylbenzenesulfonamide
PubChem CID43560584
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name4-(cyclopropylmethoxy)-2,3-dimethylbenzenesulfonamide
SMILESCc1c(OCC2CC2)ccc(S(N)(=O)=O)c1C
InChIInChI=1S/C12H17NO3S/c1-8-9(2)12(17(13,14)15)6-5-11(8)16-7-10-3-4-10/h5-6,10H,3-4,7H2,1-2H3,(H2,13,14,15)
InChIKeySBXDYBRSMLYYNO-UHFFFAOYSA-N
XLogP1.74
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(cyclopropylmethoxy)-2,3-dimethylbenzenesulfonamide 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

4-ethoxy-2,3-dimethylbenzenesulfonamide
CID 43164397
N-(cyclopropylmethyl)-2-(2,3-dimethyl-4-sulfamoylphenoxy)acetamide
CID 82913298
2,3-dimethyl-4-prop-2-enoxybenzenesulfonamide
CID 82922074
N-cyclopropyl-2-(2,3-dimethyl-4-sulfamoylphenoxy)acetamide
CID 82921851
4-cyclohexyloxy-2,3-dimethylbenzenesulfonamide
CID 43342353
2,3-dimethyl-4-phenylmethoxybenzenesulfonamide
CID 43342343
4-[2-(3-methoxypropoxy)ethoxy]-2,3-dimethylbenzenesulfonamide
CID 103180943
1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]propan-2-amine
CID 170891556
5-(cyclobutylmethoxy)quinoline-8-sulfonamide
CID 103045327
4-(cyclopropylmethoxy)-3-sulfamoylbenzoic acid
CID 43560583
4-(2,3-dimethyl-4-sulfamoylphenoxy)butanoic acid
CID 43342347
2,5-dichloro-4-(cyclopropylmethoxy)benzenesulfonamide
CID 43560597

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 4-(cyclopropylmethoxy)-2,3-dimethylbenzenesulfonamide (CID 43560584) is 4-(cyclopropylmethoxy)-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-2,3-dimethylbenzenesulfonamide is Cc1c(OCC2CC2)ccc(S(N)(=O)=O)c1C.
What is the InChIKey of 4-(cyclopropylmethoxy)-2,3-dimethylbenzenesulfonamide?
The InChIKey is SBXDYBRSMLYYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-8-9(2)12(17(13,14)15)6-5-11(8)16-7-10-3-4-10/h5-6,10H,3-4,7H2,1-2H3,(H2,13,14,15).
What are the key properties of 4-(cyclopropylmethoxy)-2,3-dimethylbenzenesulfonamide?
4-(cyclopropylmethoxy)-2,3-dimethylbenzenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 43560584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).