2,5-dichloro-N-(2-chloroethyl)-N-propan-2-ylbenzenesulfonamide

C11H14Cl3NO2S — CID 55188022

IUPAC2,5-dichloro-N-(2-chloroethyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(CCCl)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H14Cl3NO2S/c1-8(2)15(6-5-12)18(16,17)11-7-9(13)3-4-10(11)14/h3-4,7-8H,5-6H2,1-2H3
InChIKeyWSMYABSBRLVASZ-UHFFFAOYSA-N
MW330.66 g/mol
LogP3.63
Rot. Bonds5

About 2,5-dichloro-N-(2-chloroethyl)-N-propan-2-ylbenzenesulfonamide

2,5-dichloro-N-(2-chloroethyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 55188022) has the molecular formula C11H14Cl3NO2S and a molecular weight of 330.66 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-chloroethyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-chloroethyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID55188022
Molecular FormulaC11H14Cl3NO2S
Molecular Weight330.66 g/mol
Exact Mass328.98
IUPAC Name2,5-dichloro-N-(2-chloroethyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(CCCl)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H14Cl3NO2S/c1-8(2)15(6-5-12)18(16,17)11-7-9(13)3-4-10(11)14/h3-4,7-8H,5-6H2,1-2H3
InChIKeyWSMYABSBRLVASZ-UHFFFAOYSA-N
XLogP3.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.66
LogP ≤ 53.63
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

3,4-dichloro-N-(3-chloropropyl)-N-propan-2-ylbenzenesulfonamide
CID 23323135
3-[(2-chloro-5-fluorophenyl)sulfonyl-propan-2-ylamino]propanethioamide
CID 105400146
2-amino-4-chloro-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 63401799
2,5-dichloro-N-[4-(2-hydroxypropan-2-yl)phenyl]-N-propan-2-ylbenzenesulfonamide
CID 143399663
propan-2-yl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetate
CID 50890211
2,5-dichloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
CID 47387966
2,5-dichloro-N-(3,5-dichlorophenyl)-N-methylbenzenesulfonamide
CID 100507274
2-[(2,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoic acid
CID 50894753
2-[(5-chloro-2-methylphenyl)sulfonyl-propan-2-ylamino]acetic acid
CID 60828649
(2S)-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 10598780
3-[(2,5-dichlorophenyl)sulfonyl-methylamino]propanethioamide
CID 43344046
4-[(2,5-dichlorophenyl)sulfonyl-methylamino]butanoic acid
CID 43235943

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-chloroethyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(2-chloroethyl)-N-propan-2-ylbenzenesulfonamide (CID 55188022) is 2,5-dichloro-N-(2-chloroethyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2-chloroethyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2-chloroethyl)-N-propan-2-ylbenzenesulfonamide is CC(C)N(CCCl)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-chloroethyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is WSMYABSBRLVASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl3NO2S/c1-8(2)15(6-5-12)18(16,17)11-7-9(13)3-4-10(11)14/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 2,5-dichloro-N-(2-chloroethyl)-N-propan-2-ylbenzenesulfonamide?
2,5-dichloro-N-(2-chloroethyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 330.66 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-chloroethyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 55188022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).