3-(2-methoxyethylsulfamoylamino)-2-methylbenzenesulfonamide

C10H17N3O5S2 — CID 114816608

IUPAC3-(2-methoxyethylsulfamoylamino)-2-methylbenzenesulfonamide
SMILESCOCCNS(=O)(=O)Nc1cccc(S(N)(=O)=O)c1C
InChIInChI=1S/C10H17N3O5S2/c1-8-9(4-3-5-10(8)19(11,14)15)13-20(16,17)12-6-7-18-2/h3-5,12-13H,6-7H2,1-2H3,(H2,11,14,15)
InChIKeyYRUNDLOKNIXCAB-UHFFFAOYSA-N
MW323.40 g/mol
LogP-0.46
Rot. Bonds7

About 3-(2-methoxyethylsulfamoylamino)-2-methylbenzenesulfonamide

3-(2-methoxyethylsulfamoylamino)-2-methylbenzenesulfonamide (PubChem CID 114816608) has the molecular formula C10H17N3O5S2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-(2-methoxyethylsulfamoylamino)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(2-methoxyethylsulfamoylamino)-2-methylbenzenesulfonamide
PubChem CID114816608
Molecular FormulaC10H17N3O5S2
Molecular Weight323.40 g/mol
Exact Mass323.06
IUPAC Name3-(2-methoxyethylsulfamoylamino)-2-methylbenzenesulfonamide
SMILESCOCCNS(=O)(=O)Nc1cccc(S(N)(=O)=O)c1C
InChIInChI=1S/C10H17N3O5S2/c1-8-9(4-3-5-10(8)19(11,14)15)13-20(16,17)12-6-7-18-2/h3-5,12-13H,6-7H2,1-2H3,(H2,11,14,15)
InChIKeyYRUNDLOKNIXCAB-UHFFFAOYSA-N
XLogP-0.46
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2-methoxyethylsulfamoylamino)-2-methylbenzenesulfonamide 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

methyl N-[(2-methyl-3-sulfamoylphenyl)sulfamoyl]carbamate
CID 114465998
2-chloro-6-(2-methoxyethylsulfamoylamino)phenol
CID 114815567
2-(2-methoxyethylsulfamoylamino)benzenecarbothioamide
CID 114815185
N-(2-methoxyethylsulfamoyl)-2-(methylaminomethyl)aniline
CID 114815993
4-methoxy-3-(2-methoxyethylsulfamoylamino)benzenesulfonamide
CID 114816629
2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide
CID 79593105
2-amino-3-(3-methoxypropylamino)benzenesulfonamide
CID 112674652
2-fluoro-N'-hydroxy-6-(2-methoxyethylsulfamoylamino)benzenecarboximidamide
CID 114816573
5-bromo-4-fluoro-N-(2-methoxyethylsulfamoyl)-2-methylaniline
CID 107592648
3-(2-methoxyethylsulfamoylamino)-4-methylbenzonitrile
CID 114815107
3-(hexylamino)-2-methylbenzenesulfonamide
CID 54866925
2-(1-methoxypropan-2-ylamino)benzenesulfonamide
CID 43454220

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylsulfamoylamino)-2-methylbenzenesulfonamide?
The IUPAC name of 3-(2-methoxyethylsulfamoylamino)-2-methylbenzenesulfonamide (CID 114816608) is 3-(2-methoxyethylsulfamoylamino)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-(2-methoxyethylsulfamoylamino)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-(2-methoxyethylsulfamoylamino)-2-methylbenzenesulfonamide is COCCNS(=O)(=O)Nc1cccc(S(N)(=O)=O)c1C.
What is the InChIKey of 3-(2-methoxyethylsulfamoylamino)-2-methylbenzenesulfonamide?
The InChIKey is YRUNDLOKNIXCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5S2/c1-8-9(4-3-5-10(8)19(11,14)15)13-20(16,17)12-6-7-18-2/h3-5,12-13H,6-7H2,1-2H3,(H2,11,14,15).
What are the key properties of 3-(2-methoxyethylsulfamoylamino)-2-methylbenzenesulfonamide?
3-(2-methoxyethylsulfamoylamino)-2-methylbenzenesulfonamide has a molecular weight of 323.40 g/mol, XLogP of -0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylsulfamoylamino)-2-methylbenzenesulfonamide is sourced from PubChem (CID 114816608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).