3,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzenesulfonamide

C10H12Cl3NO2S — CID 65033108

IUPAC3,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(CCl)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl3NO2S/c1-10(2,6-11)14-17(15,16)7-3-4-8(12)9(13)5-7/h3-5,14H,6H2,1-2H3
InChIKeyKPJDMCNBJZJESZ-UHFFFAOYSA-N
MW316.64 g/mol
LogP3.29
Rot. Bonds4

About 3,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzenesulfonamide

3,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzenesulfonamide (PubChem CID 65033108) has the molecular formula C10H12Cl3NO2S and a molecular weight of 316.64 g/mol. Its IUPAC name is 3,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzenesulfonamide
PubChem CID65033108
Molecular FormulaC10H12Cl3NO2S
Molecular Weight316.64 g/mol
Exact Mass314.97
IUPAC Name3,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(CCl)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl3NO2S/c1-10(2,6-11)14-17(15,16)7-3-4-8(12)9(13)5-7/h3-5,14H,6H2,1-2H3
InChIKeyKPJDMCNBJZJESZ-UHFFFAOYSA-N
XLogP3.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.64
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

3,4-dichloro-N-(2-phenylpropan-2-yl)benzenesulfonamide
CID 113091765
3-[(3,4-dichlorophenyl)sulfonylamino]-2,2,3-trimethylbutanoic acid
CID 65265968
3-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 106606276
3,4-dichloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169954
2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpentanoic acid
CID 43619247
3,4-dichloro-N-(2-pyridin-2-ylpropan-2-yl)benzenesulfonamide
CID 113091934
3-chloro-4-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031458
3-bromo-N-tert-butyl-4-chlorobenzenesulfonamide
CID 106545074
N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120709208
4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-nitrobenzenesulfonamide
CID 43416599
4-[(3-bromo-4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 106605335
3,4-dichloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502121

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzenesulfonamide (CID 65033108) is 3,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzenesulfonamide is CC(C)(CCl)NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzenesulfonamide?
The InChIKey is KPJDMCNBJZJESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl3NO2S/c1-10(2,6-11)14-17(15,16)7-3-4-8(12)9(13)5-7/h3-5,14H,6H2,1-2H3.
What are the key properties of 3,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzenesulfonamide?
3,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzenesulfonamide has a molecular weight of 316.64 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 65033108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).