4-tert-butyl-2-chlorobenzenesulfonyl chloride

C10H12Cl2O2S — CID 22148827

IUPAC4-tert-butyl-2-chlorobenzenesulfonyl chloride
SMILESCC(C)(C)c1ccc(S(=O)(=O)Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2O2S/c1-10(2,3)7-4-5-9(8(11)6-7)15(12,13)14/h4-6H,1-3H3
InChIKeyWFYQROYCQOPFNR-UHFFFAOYSA-N
MW267.18 g/mol
LogP3.57
Rot. Bonds1

About 4-tert-butyl-2-chlorobenzenesulfonyl chloride

4-tert-butyl-2-chlorobenzenesulfonyl chloride (PubChem CID 22148827) has the molecular formula C10H12Cl2O2S and a molecular weight of 267.18 g/mol. Its IUPAC name is 4-tert-butyl-2-chlorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-tert-butyl-2-chlorobenzenesulfonyl chloride
PubChem CID22148827
Molecular FormulaC10H12Cl2O2S
Molecular Weight267.18 g/mol
Exact Mass265.99
IUPAC Name4-tert-butyl-2-chlorobenzenesulfonyl chloride
SMILESCC(C)(C)c1ccc(S(=O)(=O)Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2O2S/c1-10(2,3)7-4-5-9(8(11)6-7)15(12,13)14/h4-6H,1-3H3
InChIKeyWFYQROYCQOPFNR-UHFFFAOYSA-N
XLogP3.57
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.18
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-t-Butylbenzenesulfonyl chloride
CID 139882
2-Chloro-4-methylbenzene-1-sulfonyl chloride
CID 289081
Rac-1-(4-tert-butylphenylsulfonyl)-2-chlorobenzene
CID 52949552
2-Chloro-4-(difluoromethyl)benzene-1-sulfonyl chloride
CID 84710368
2-Chloro-6-methylbenzene-1-sulfonyl chloride
CID 15725370
4-(2-Methylbutan-2-yl)benzene-1-sulfonyl chloride
CID 22281976
2-Chloro-4-(trifluoromethyl)benzenesulfonyl chloride
CID 2736675
4'-Chlorobiphenyl-4-sulfonyl chloride
CID 2794745
3',5'-Dichloro(1,1'-biphenyl)-4-sulfonyl chloride
CID 3771398
3'-Chloro[1,1'-biphenyl]-4-sulfonyl chloride
CID 16244688
2,6-Dichloro-4-methylbenzene-1-sulfonyl chloride
CID 54400603
2-Chloro-4-(chloromethyl)benzene-1-sulfonyl chloride
CID 83272033

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-chlorobenzenesulfonyl chloride?
The IUPAC name of 4-tert-butyl-2-chlorobenzenesulfonyl chloride (CID 22148827) is 4-tert-butyl-2-chlorobenzenesulfonyl chloride.
What is the SMILES notation for 4-tert-butyl-2-chlorobenzenesulfonyl chloride?
The canonical SMILES for 4-tert-butyl-2-chlorobenzenesulfonyl chloride is CC(C)(C)c1ccc(S(=O)(=O)Cl)c(Cl)c1.
What is the InChIKey of 4-tert-butyl-2-chlorobenzenesulfonyl chloride?
The InChIKey is WFYQROYCQOPFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O2S/c1-10(2,3)7-4-5-9(8(11)6-7)15(12,13)14/h4-6H,1-3H3.
What are the key properties of 4-tert-butyl-2-chlorobenzenesulfonyl chloride?
4-tert-butyl-2-chlorobenzenesulfonyl chloride has a molecular weight of 267.18 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-chlorobenzenesulfonyl chloride is sourced from PubChem (CID 22148827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).