3,4-dichloro-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide

C11H12Cl3NO2S — CID 65031737

IUPAC3,4-dichloro-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(Cl)C1CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl3NO2S/c12-9-4-3-8(5-10(9)13)18(16,17)15-6-11(14)7-1-2-7/h3-5,7,11,15H,1-2,6H2
InChIKeyBIHDFLQBVFORER-UHFFFAOYSA-N
MW328.65 g/mol
LogP3.29
Rot. Bonds5

About 3,4-dichloro-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide

3,4-dichloro-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide (PubChem CID 65031737) has the molecular formula C11H12Cl3NO2S and a molecular weight of 328.65 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide
PubChem CID65031737
Molecular FormulaC11H12Cl3NO2S
Molecular Weight328.65 g/mol
Exact Mass326.97
IUPAC Name3,4-dichloro-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(Cl)C1CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl3NO2S/c12-9-4-3-8(5-10(9)13)18(16,17)15-6-11(14)7-1-2-7/h3-5,7,11,15H,1-2,6H2
InChIKeyBIHDFLQBVFORER-UHFFFAOYSA-N
XLogP3.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.65
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide
CID 65032120
3,4-dichloro-N-(2,2-dimethoxyethyl)benzenesulfonamide
CID 3498417
N-(2-amino-2-cyclopropylethyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 115301403
3-chloro-N-(2-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107091650
(3S)-3-cyclopropyl-3-[(3,4-dichlorophenyl)sulfonylamino]propanamide
CID 95776994
2-[[(3,4-dichlorophenyl)sulfonylamino]methyl]butanoic acid
CID 65222683
3,4-dichloro-N-(2-fluoroethyl)benzenesulfonamide
CID 87814655
3-chloro-N-(2-cyclopropylpropyl)-4-(ethylaminomethyl)benzenesulfonamide
CID 107091649
2-chloro-2-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]ethanamine
CID 65030216
3,4-dichloro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide
CID 110403316
N-(2-aminoethyl)-3,4-dichlorobenzenesulfonamide;hydrochloride
CID 119960311
3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
CID 28810999

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide (CID 65031737) is 3,4-dichloro-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide is O=S(=O)(NCC(Cl)C1CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide?
The InChIKey is BIHDFLQBVFORER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3NO2S/c12-9-4-3-8(5-10(9)13)18(16,17)15-6-11(14)7-1-2-7/h3-5,7,11,15H,1-2,6H2.
What are the key properties of 3,4-dichloro-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide?
3,4-dichloro-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide has a molecular weight of 328.65 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide is sourced from PubChem (CID 65031737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).