4-chloro-N-(dimethylamino-methyl-oxo-λ6-sulfanylidene)benzenesulfonamide

C9H13ClN2O3S2 — CID 134992604

IUPAC4-chloro-N-(dimethylamino-methyl-oxo-λ6-sulfanylidene)benzenesulfonamide
SMILESCN(C)S(C)(=O)=NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H13ClN2O3S2/c1-12(2)16(3,13)11-17(14,15)9-6-4-8(10)5-7-9/h4-7H,1-3H3
InChIKeyXCHTXUMOMIXAOY-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.60
Rot. Bonds3

About 4-chloro-N-(dimethylamino-methyl-oxo-λ6-sulfanylidene)benzenesulfonamide

4-chloro-N-(dimethylamino-methyl-oxo-λ6-sulfanylidene)benzenesulfonamide (PubChem CID 134992604) has the molecular formula C9H13ClN2O3S2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 4-chloro-N-(dimethylamino-methyl-oxo-λ6-sulfanylidene)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(dimethylamino-methyl-oxo-λ6-sulfanylidene)benzenesulfonamide
PubChem CID134992604
Molecular FormulaC9H13ClN2O3S2
Molecular Weight296.80 g/mol
Exact Mass296.01
IUPAC Name4-chloro-N-(dimethylamino-methyl-oxo-λ6-sulfanylidene)benzenesulfonamide
SMILESCN(C)S(C)(=O)=NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H13ClN2O3S2/c1-12(2)16(3,13)11-17(14,15)9-6-4-8(10)5-7-9/h4-7H,1-3H3
InChIKeyXCHTXUMOMIXAOY-UHFFFAOYSA-N
XLogP1.60
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenoxy)-methyl-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 134927709
(4-chlorophenyl)sulfonyl-methylazanide
CID 101403328
4-chloro-N-methyl-N-methylsulfonylbenzenecarbohydrazonoyl chloride
CID 139650046
4-chloro-N-(3,5-dichloro-2,6-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
CID 5118131
N-[(4-chlorophenyl)-ethyl-oxo-λ6-sulfanylidene]sulfamoyl chloride
CID 125424620
methyl (Z)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate
CID 5414602
benzene;4-chlorobenzenesulfonic acid
CID 159988924
1-[bis(benzenesulfonyl)methylsulfonyl]-4-chlorobenzene
CID 18790965
N'-(4-chlorophenyl)sulfonylbenzenecarboximidamide
CID 555502
3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide
CID 697776
bis(4-chlorobenzenesulfonate);mercury(2+)
CID 22604664
N-[1-(4-chlorophenyl)ethylidene]-4-methylbenzenesulfonamide
CID 74345526

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(dimethylamino-methyl-oxo-λ6-sulfanylidene)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(dimethylamino-methyl-oxo-λ6-sulfanylidene)benzenesulfonamide (CID 134992604) is 4-chloro-N-(dimethylamino-methyl-oxo-λ6-sulfanylidene)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(dimethylamino-methyl-oxo-λ6-sulfanylidene)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(dimethylamino-methyl-oxo-λ6-sulfanylidene)benzenesulfonamide is CN(C)S(C)(=O)=NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(dimethylamino-methyl-oxo-λ6-sulfanylidene)benzenesulfonamide?
The InChIKey is XCHTXUMOMIXAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O3S2/c1-12(2)16(3,13)11-17(14,15)9-6-4-8(10)5-7-9/h4-7H,1-3H3.
What are the key properties of 4-chloro-N-(dimethylamino-methyl-oxo-λ6-sulfanylidene)benzenesulfonamide?
4-chloro-N-(dimethylamino-methyl-oxo-λ6-sulfanylidene)benzenesulfonamide has a molecular weight of 296.80 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(dimethylamino-methyl-oxo-λ6-sulfanylidene)benzenesulfonamide is sourced from PubChem (CID 134992604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).