N-[2-(methylsulfamoyl)ethyl]-3-propanoylbenzenesulfonamide

C12H18N2O5S2 — CID 102675948

IUPACN-[2-(methylsulfamoyl)ethyl]-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)NCCS(=O)(=O)NC)c1
InChIInChI=1S/C12H18N2O5S2/c1-3-12(15)10-5-4-6-11(9-10)21(18,19)14-7-8-20(16,17)13-2/h4-6,9,13-14H,3,7-8H2,1-2H3
InChIKeyRGAQBOLNUYETSO-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.11
Rot. Bonds8

About N-[2-(methylsulfamoyl)ethyl]-3-propanoylbenzenesulfonamide

N-[2-(methylsulfamoyl)ethyl]-3-propanoylbenzenesulfonamide (PubChem CID 102675948) has the molecular formula C12H18N2O5S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-(methylsulfamoyl)ethyl]-3-propanoylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(methylsulfamoyl)ethyl]-3-propanoylbenzenesulfonamide
PubChem CID102675948
Molecular FormulaC12H18N2O5S2
Molecular Weight334.42 g/mol
Exact Mass334.07
IUPAC NameN-[2-(methylsulfamoyl)ethyl]-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)NCCS(=O)(=O)NC)c1
InChIInChI=1S/C12H18N2O5S2/c1-3-12(15)10-5-4-6-11(9-10)21(18,19)14-7-8-20(16,17)13-2/h4-6,9,13-14H,3,7-8H2,1-2H3
InChIKeyRGAQBOLNUYETSO-UHFFFAOYSA-N
XLogP0.11
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(methylsulfamoyl)ethyl]-3-propanoylbenzenesulfonamide 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

N-[2-(methylamino)ethyl]-3-propanoylbenzenesulfonamide;hydrochloride
CID 119973412
N-[2-(dimethylamino)ethyl]-3-propanoylbenzenesulfonamide
CID 39384795
3-[(3-propanoylphenyl)sulfonylamino]propanamide
CID 60873632
3-propanoyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 103823487
N-(2,2-difluoroethyl)-3-propanoylbenzenesulfonamide
CID 115282992
N-(3,3-difluoro-2-hydroxypropyl)-3-propanoylbenzenesulfonamide
CID 103836741
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-propanoylbenzenesulfonamide
CID 103834766
N-(3-methylbut-2-enyl)-3-propanoylbenzenesulfonamide
CID 103526960
N-(2-methylbutyl)-3-propanoylbenzenesulfonamide
CID 62691641
3-propanoyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103833970
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propanoylbenzenesulfonamide
CID 71912550
N-(3-ethylpentan-3-yl)-3-propanoylbenzenesulfonamide
CID 65042545

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylsulfamoyl)ethyl]-3-propanoylbenzenesulfonamide?
The IUPAC name of N-[2-(methylsulfamoyl)ethyl]-3-propanoylbenzenesulfonamide (CID 102675948) is N-[2-(methylsulfamoyl)ethyl]-3-propanoylbenzenesulfonamide.
What is the SMILES notation for N-[2-(methylsulfamoyl)ethyl]-3-propanoylbenzenesulfonamide?
The canonical SMILES for N-[2-(methylsulfamoyl)ethyl]-3-propanoylbenzenesulfonamide is CCC(=O)c1cccc(S(=O)(=O)NCCS(=O)(=O)NC)c1.
What is the InChIKey of N-[2-(methylsulfamoyl)ethyl]-3-propanoylbenzenesulfonamide?
The InChIKey is RGAQBOLNUYETSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S2/c1-3-12(15)10-5-4-6-11(9-10)21(18,19)14-7-8-20(16,17)13-2/h4-6,9,13-14H,3,7-8H2,1-2H3.
What are the key properties of N-[2-(methylsulfamoyl)ethyl]-3-propanoylbenzenesulfonamide?
N-[2-(methylsulfamoyl)ethyl]-3-propanoylbenzenesulfonamide has a molecular weight of 334.42 g/mol, XLogP of 0.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylsulfamoyl)ethyl]-3-propanoylbenzenesulfonamide is sourced from PubChem (CID 102675948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).