2-chloro-N-[methyl(methylidene)-λ4-sulfanyl]benzenesulfonamide

C8H10ClNO2S2 — CID 117061466

IUPAC2-chloro-N-[methyl(methylidene)-λ4-sulfanyl]benzenesulfonamide
SMILESC=S(C)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C8H10ClNO2S2/c1-13(2)10-14(11,12)8-6-4-3-5-7(8)9/h3-6,10H,1H2,2H3
InChIKeyRARIDBXBPFAWHP-UHFFFAOYSA-N
MW251.76 g/mol
LogP1.86
Rot. Bonds3

About 2-chloro-N-[methyl(methylidene)-λ4-sulfanyl]benzenesulfonamide

2-chloro-N-[methyl(methylidene)-λ4-sulfanyl]benzenesulfonamide (PubChem CID 117061466) has the molecular formula C8H10ClNO2S2 and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-chloro-N-[methyl(methylidene)-λ4-sulfanyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[methyl(methylidene)-λ4-sulfanyl]benzenesulfonamide
PubChem CID117061466
Molecular FormulaC8H10ClNO2S2
Molecular Weight251.76 g/mol
Exact Mass250.98
IUPAC Name2-chloro-N-[methyl(methylidene)-λ4-sulfanyl]benzenesulfonamide
SMILESC=S(C)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C8H10ClNO2S2/c1-13(2)10-14(11,12)8-6-4-3-5-7(8)9/h3-6,10H,1H2,2H3
InChIKeyRARIDBXBPFAWHP-UHFFFAOYSA-N
XLogP1.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727391
chloro-(2-chlorophenyl)-methylidene-oxo-λ6-sulfane
CID 59505270
2-chloro-N-[(2S)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832456
2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832457
N-[(2R)-1-aminopropan-2-yl]-2-chlorobenzenesulfonamide
CID 104873370
[(2-chlorophenyl)sulfonylamino] 4-methylbenzoate
CID 91245772
2-[(2-chlorophenyl)sulfonylamino]propanethioamide
CID 61124636
2-chloro-N-(oxan-4-yl)benzenesulfonamide
CID 110726925
N-(3-aminophenyl)-2-chlorobenzenesulfonamide
CID 39382570
1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)urea
CID 6610584
2-chloro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 113098760
2-chloro-N-piperidin-4-ylbenzenesulfonamide
CID 28811083

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[methyl(methylidene)-λ4-sulfanyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[methyl(methylidene)-λ4-sulfanyl]benzenesulfonamide (CID 117061466) is 2-chloro-N-[methyl(methylidene)-λ4-sulfanyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[methyl(methylidene)-λ4-sulfanyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[methyl(methylidene)-λ4-sulfanyl]benzenesulfonamide is C=S(C)NS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[methyl(methylidene)-λ4-sulfanyl]benzenesulfonamide?
The InChIKey is RARIDBXBPFAWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S2/c1-13(2)10-14(11,12)8-6-4-3-5-7(8)9/h3-6,10H,1H2,2H3.
What are the key properties of 2-chloro-N-[methyl(methylidene)-λ4-sulfanyl]benzenesulfonamide?
2-chloro-N-[methyl(methylidene)-λ4-sulfanyl]benzenesulfonamide has a molecular weight of 251.76 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[methyl(methylidene)-λ4-sulfanyl]benzenesulfonamide is sourced from PubChem (CID 117061466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).