5-amino-4-chloro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide

C12H19ClN2O4S — CID 106308667

IUPAC5-amino-4-chloro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide
SMILESCc1cc(Cl)c(N)cc1S(=O)(=O)NCCCOCCO
InChIInChI=1S/C12H19ClN2O4S/c1-9-7-10(13)11(14)8-12(9)20(17,18)15-3-2-5-19-6-4-16/h7-8,15-16H,2-6,14H2,1H3
InChIKeyNFBVIYBXGXXLTF-UHFFFAOYSA-N
MW322.81 g/mol
LogP0.91
Rot. Bonds8

About 5-amino-4-chloro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide

5-amino-4-chloro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide (PubChem CID 106308667) has the molecular formula C12H19ClN2O4S and a molecular weight of 322.81 g/mol. Its IUPAC name is 5-amino-4-chloro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-chloro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide
PubChem CID106308667
Molecular FormulaC12H19ClN2O4S
Molecular Weight322.81 g/mol
Exact Mass322.08
IUPAC Name5-amino-4-chloro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide
SMILESCc1cc(Cl)c(N)cc1S(=O)(=O)NCCCOCCO
InChIInChI=1S/C12H19ClN2O4S/c1-9-7-10(13)11(14)8-12(9)20(17,18)15-3-2-5-19-6-4-16/h7-8,15-16H,2-6,14H2,1H3
InChIKeyNFBVIYBXGXXLTF-UHFFFAOYSA-N
XLogP0.91
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.81
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-4-chloro-N-[3-(2-hydroxyethoxy)propyl]-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

5-[(5-amino-4-chloro-2-methylphenyl)sulfonylamino]pentanamide
CID 106233651
5-amino-4-bromo-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzenesulfonamide
CID 114625595
3-amino-N-[3-(2-hydroxyethoxy)propyl]-4,5-dimethylbenzenesulfonamide
CID 106308624
5-amino-4-chloro-N-hex-5-ynyl-2-methylbenzenesulfonamide
CID 106208464
3-amino-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide
CID 106308661
3-amino-4-fluoro-N-[3-(2-hydroxyethoxy)propyl]-5-methylbenzenesulfonamide
CID 106308683
2-amino-N-[3-(2-hydroxyethoxy)propyl]-3,6-dimethylbenzenesulfonamide
CID 106308656
2-amino-5-bromo-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide
CID 106308704
3-[2-[(5-amino-4-chloro-2-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83108751
2-amino-5-bromo-4-fluoro-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide
CID 106308613
5-amino-2-chloro-4-fluoro-N-(3-propoxypropyl)benzenesulfonamide
CID 82949557
2-amino-4,5-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82949556

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-chloro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-4-chloro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide (CID 106308667) is 5-amino-4-chloro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-4-chloro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-4-chloro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide is Cc1cc(Cl)c(N)cc1S(=O)(=O)NCCCOCCO.
What is the InChIKey of 5-amino-4-chloro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide?
The InChIKey is NFBVIYBXGXXLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O4S/c1-9-7-10(13)11(14)8-12(9)20(17,18)15-3-2-5-19-6-4-16/h7-8,15-16H,2-6,14H2,1H3.
What are the key properties of 5-amino-4-chloro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide?
5-amino-4-chloro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide has a molecular weight of 322.81 g/mol, XLogP of 0.91, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-chloro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 106308667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).