4-amino-2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide

C11H14Cl2N2O4S2 — CID 43648502

IUPAC4-amino-2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
SMILESCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C11H14Cl2N2O4S2/c1-15(8-2-3-20(16,17)6-8)21(18,19)11-9(12)4-7(14)5-10(11)13/h4-5,8H,2-3,6,14H2,1H3
InChIKeyRUVZBKLTUNKIGB-UHFFFAOYSA-N
MW373.28 g/mol
LogP1.38
Rot. Bonds3

About 4-amino-2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide

4-amino-2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide (PubChem CID 43648502) has the molecular formula C11H14Cl2N2O4S2 and a molecular weight of 373.28 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
PubChem CID43648502
Molecular FormulaC11H14Cl2N2O4S2
Molecular Weight373.28 g/mol
Exact Mass371.98
IUPAC Name4-amino-2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
SMILESCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C11H14Cl2N2O4S2/c1-15(8-2-3-20(16,17)6-8)21(18,19)11-9(12)4-7(14)5-10(11)13/h4-5,8H,2-3,6,14H2,1H3
InChIKeyRUVZBKLTUNKIGB-UHFFFAOYSA-N
XLogP1.38
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(1,1-dioxothiolan-3-yl)-5-fluoro-N-methylbenzenesulfonamide
CID 63321663
N-[(3S)-1,1-dioxothiolan-3-yl]-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 7999416
3-chloro-N-(1,1-dioxothiolan-3-yl)-N,4-dimethylbenzenesulfonamide
CID 47190072
3-chloro-N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzenesulfonamide
CID 47113430
3-amino-N-(1,1-dioxothiolan-3-yl)-N,4,5-trimethylbenzenesulfonamide
CID 43648472
2-amino-N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzenesulfonamide
CID 43648484
2-amino-5-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
CID 60988461
4-amino-2,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60983932
4-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
CID 47113368
4-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylthiophene-2-sulfonamide
CID 110678461
N-[(3S)-1,1-dioxothiolan-3-yl]-N,2,4-trimethylbenzenesulfonamide
CID 129370634
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-3-nitrobenzenesulfonamide
CID 7260394

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide (CID 43648502) is 4-amino-2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide is CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 4-amino-2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide?
The InChIKey is RUVZBKLTUNKIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O4S2/c1-15(8-2-3-20(16,17)6-8)21(18,19)11-9(12)4-7(14)5-10(11)13/h4-5,8H,2-3,6,14H2,1H3.
What are the key properties of 4-amino-2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide?
4-amino-2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide has a molecular weight of 373.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 43648502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).