4-chloro-N-[2-chloroethyl(phenyl)-λ4-sulfanylidene]benzenesulfonamide

C14H13Cl2NO2S2 — CID 7360379

IUPAC4-chloro-N-[2-chloroethyl(phenyl)-λ4-sulfanylidene]benzenesulfonamide
SMILESO=S(=O)(N=S(CCCl)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13Cl2NO2S2/c15-10-11-20(13-4-2-1-3-5-13)17-21(18,19)14-8-6-12(16)7-9-14/h1-9H,10-11H2
InChIKeyQNRGJTTYQGLQOA-UHFFFAOYSA-N
MW362.30 g/mol
LogP4.13
Rot. Bonds5

About 4-chloro-N-[2-chloroethyl(phenyl)-λ4-sulfanylidene]benzenesulfonamide

4-chloro-N-[2-chloroethyl(phenyl)-λ4-sulfanylidene]benzenesulfonamide (PubChem CID 7360379) has the molecular formula C14H13Cl2NO2S2 and a molecular weight of 362.30 g/mol. Its IUPAC name is 4-chloro-N-[2-chloroethyl(phenyl)-λ4-sulfanylidene]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-chloroethyl(phenyl)-λ4-sulfanylidene]benzenesulfonamide
PubChem CID7360379
Molecular FormulaC14H13Cl2NO2S2
Molecular Weight362.30 g/mol
Exact Mass360.98
IUPAC Name4-chloro-N-[2-chloroethyl(phenyl)-λ4-sulfanylidene]benzenesulfonamide
SMILESO=S(=O)(N=S(CCCl)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13Cl2NO2S2/c15-10-11-20(13-4-2-1-3-5-13)17-21(18,19)14-8-6-12(16)7-9-14/h1-9H,10-11H2
InChIKeyQNRGJTTYQGLQOA-UHFFFAOYSA-N
XLogP4.13
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 6621
CID 6621
CID 6625
CID 6625
CID 18329
CID 18329
CID 27745
CID 27745
CID 21703
CID 21703
CID 120885
CID 120885
CID 249594
CID 249594
CID 520080
CID 520080
CID 81622
CID 81622
CID 786373
CID 786373
CID 1548089
CID 1548089
CID 2819853
CID 2819853

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-chloroethyl(phenyl)-λ4-sulfanylidene]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-chloroethyl(phenyl)-λ4-sulfanylidene]benzenesulfonamide (CID 7360379) is 4-chloro-N-[2-chloroethyl(phenyl)-λ4-sulfanylidene]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-chloroethyl(phenyl)-λ4-sulfanylidene]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-chloroethyl(phenyl)-λ4-sulfanylidene]benzenesulfonamide is O=S(=O)(N=S(CCCl)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-chloroethyl(phenyl)-λ4-sulfanylidene]benzenesulfonamide?
The InChIKey is QNRGJTTYQGLQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2S2/c15-10-11-20(13-4-2-1-3-5-13)17-21(18,19)14-8-6-12(16)7-9-14/h1-9H,10-11H2.
What are the key properties of 4-chloro-N-[2-chloroethyl(phenyl)-λ4-sulfanylidene]benzenesulfonamide?
4-chloro-N-[2-chloroethyl(phenyl)-λ4-sulfanylidene]benzenesulfonamide has a molecular weight of 362.30 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-chloroethyl(phenyl)-λ4-sulfanylidene]benzenesulfonamide is sourced from PubChem (CID 7360379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).