4-amino-2,6-dichloro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide

C12H16Cl2N2O4S — CID 106296782

IUPAC4-amino-2,6-dichloro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
SMILESNc1cc(Cl)c(S(=O)(=O)NC2(CO)CCOCC2)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O4S/c13-9-5-8(15)6-10(14)11(9)21(18,19)16-12(7-17)1-3-20-4-2-12/h5-6,16-17H,1-4,7,15H2
InChIKeyZKHMQHJYQNFXBP-UHFFFAOYSA-N
MW355.24 g/mol
LogP1.40
Rot. Bonds4

About 4-amino-2,6-dichloro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide

4-amino-2,6-dichloro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide (PubChem CID 106296782) has the molecular formula C12H16Cl2N2O4S and a molecular weight of 355.24 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
PubChem CID106296782
Molecular FormulaC12H16Cl2N2O4S
Molecular Weight355.24 g/mol
Exact Mass354.02
IUPAC Name4-amino-2,6-dichloro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
SMILESNc1cc(Cl)c(S(=O)(=O)NC2(CO)CCOCC2)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O4S/c13-9-5-8(15)6-10(14)11(9)21(18,19)16-12(7-17)1-3-20-4-2-12/h5-6,16-17H,1-4,7,15H2
InChIKeyZKHMQHJYQNFXBP-UHFFFAOYSA-N
XLogP1.40
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-2,6-dichloro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide 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

3-amino-N-[4-(hydroxymethyl)oxan-4-yl]-4,5-dimethylbenzenesulfonamide
CID 106296708
5-amino-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzenesulfonamide
CID 106296774
3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylbenzenesulfonamide
CID 106299153
3-amino-4-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylbenzenesulfonamide
CID 106296764
4-amino-2,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide
CID 114755685
4-amino-2,6-dichloro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63726263
5-amino-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylimidazole-4-sulfonamide
CID 106296705
N-[4-(hydroxymethyl)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide
CID 106298861
2,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106299191
5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-sulfonamide
CID 106299114
[4-[(4-amino-6-chloro-2-pyridinyl)amino]oxan-4-yl]methanol
CID 114169989
4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 106298992

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide (CID 106296782) is 4-amino-2,6-dichloro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide is Nc1cc(Cl)c(S(=O)(=O)NC2(CO)CCOCC2)c(Cl)c1.
What is the InChIKey of 4-amino-2,6-dichloro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide?
The InChIKey is ZKHMQHJYQNFXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O4S/c13-9-5-8(15)6-10(14)11(9)21(18,19)16-12(7-17)1-3-20-4-2-12/h5-6,16-17H,1-4,7,15H2.
What are the key properties of 4-amino-2,6-dichloro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide?
4-amino-2,6-dichloro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide has a molecular weight of 355.24 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dichloro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide is sourced from PubChem (CID 106296782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).