2-amino-4,6-dichloro-N-(1,1-dioxothian-3-yl)benzenesulfonamide

C11H14Cl2N2O4S2 — CID 63921899

IUPAC2-amino-4,6-dichloro-N-(1,1-dioxothian-3-yl)benzenesulfonamide
SMILESNc1cc(Cl)cc(Cl)c1S(=O)(=O)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C11H14Cl2N2O4S2/c12-7-4-9(13)11(10(14)5-7)21(18,19)15-8-2-1-3-20(16,17)6-8/h4-5,8,15H,1-3,6,14H2
InChIKeyYYWGTYOPTVQOKY-UHFFFAOYSA-N
MW373.28 g/mol
LogP1.43
Rot. Bonds3

About 2-amino-4,6-dichloro-N-(1,1-dioxothian-3-yl)benzenesulfonamide

2-amino-4,6-dichloro-N-(1,1-dioxothian-3-yl)benzenesulfonamide (PubChem CID 63921899) has the molecular formula C11H14Cl2N2O4S2 and a molecular weight of 373.28 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-(1,1-dioxothian-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-(1,1-dioxothian-3-yl)benzenesulfonamide
PubChem CID63921899
Molecular FormulaC11H14Cl2N2O4S2
Molecular Weight373.28 g/mol
Exact Mass371.98
IUPAC Name2-amino-4,6-dichloro-N-(1,1-dioxothian-3-yl)benzenesulfonamide
SMILESNc1cc(Cl)cc(Cl)c1S(=O)(=O)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C11H14Cl2N2O4S2/c12-7-4-9(13)11(10(14)5-7)21(18,19)15-8-2-1-3-20(16,17)6-8/h4-5,8,15H,1-3,6,14H2
InChIKeyYYWGTYOPTVQOKY-UHFFFAOYSA-N
XLogP1.43
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-bromo-5-chloro-N-(1,1-dioxothian-3-yl)benzenesulfonamide
CID 63922300
2-amino-4,6-dichloro-N-(oxan-3-yl)benzenesulfonamide
CID 63359825
5-amino-2-chloro-N-(1,1-dioxothian-3-yl)-4-fluorobenzenesulfonamide
CID 63923877
3-amino-N-(1,1-dioxothian-3-yl)-4,5-dimethylbenzenesulfonamide
CID 63922894
3-amino-5-bromo-N-(1,1-dioxothian-3-yl)-2-methylbenzenesulfonamide
CID 114379675
2-bromo-N-(1,1-dioxothian-3-yl)-4,6-difluorobenzenesulfonamide
CID 63924568
4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide
CID 43256833
5-amino-N-(1,1-dioxothian-3-yl)-2-ethylbenzenesulfonamide
CID 63924074
2-amino-4,6-dichloro-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485252
3-amino-5-chloro-N-(1,1-dioxothian-4-yl)-2-fluorobenzenesulfonamide
CID 103050695
N-(1,1-dioxothian-3-yl)-2-hydrazinylbenzenesulfonamide
CID 63923756
4-amino-2,6-dichloro-N-cyclopropylbenzenesulfonamide
CID 43256975

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-(1,1-dioxothian-3-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-(1,1-dioxothian-3-yl)benzenesulfonamide (CID 63921899) is 2-amino-4,6-dichloro-N-(1,1-dioxothian-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-(1,1-dioxothian-3-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-(1,1-dioxothian-3-yl)benzenesulfonamide is Nc1cc(Cl)cc(Cl)c1S(=O)(=O)NC1CCCS(=O)(=O)C1.
What is the InChIKey of 2-amino-4,6-dichloro-N-(1,1-dioxothian-3-yl)benzenesulfonamide?
The InChIKey is YYWGTYOPTVQOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O4S2/c12-7-4-9(13)11(10(14)5-7)21(18,19)15-8-2-1-3-20(16,17)6-8/h4-5,8,15H,1-3,6,14H2.
What are the key properties of 2-amino-4,6-dichloro-N-(1,1-dioxothian-3-yl)benzenesulfonamide?
2-amino-4,6-dichloro-N-(1,1-dioxothian-3-yl)benzenesulfonamide has a molecular weight of 373.28 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-(1,1-dioxothian-3-yl)benzenesulfonamide is sourced from PubChem (CID 63921899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).