2-chloro-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride

C9H11Cl2NO4S2 — CID 60858307

IUPAC2-chloro-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride
SMILESCC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)Cl)c(Cl)c1
InChIInChI=1S/C9H11Cl2NO4S2/c1-6(2)18(15,16)12-7-3-4-9(8(10)5-7)17(11,13)14/h3-6,12H,1-2H3
InChIKeyFFDFCIISBFFSED-UHFFFAOYSA-N
MW332.23 g/mol
LogP2.42
Rot. Bonds4

About 2-chloro-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride

2-chloro-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride (PubChem CID 60858307) has the molecular formula C9H11Cl2NO4S2 and a molecular weight of 332.23 g/mol. Its IUPAC name is 2-chloro-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride
PubChem CID60858307
Molecular FormulaC9H11Cl2NO4S2
Molecular Weight332.23 g/mol
Exact Mass330.95
IUPAC Name2-chloro-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride
SMILESCC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)Cl)c(Cl)c1
InChIInChI=1S/C9H11Cl2NO4S2/c1-6(2)18(15,16)12-7-3-4-9(8(10)5-7)17(11,13)14/h3-6,12H,1-2H3
InChIKeyFFDFCIISBFFSED-UHFFFAOYSA-N
XLogP2.42
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride?
The IUPAC name of 2-chloro-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride (CID 60858307) is 2-chloro-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride?
The canonical SMILES for 2-chloro-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride is CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride?
The InChIKey is FFDFCIISBFFSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO4S2/c1-6(2)18(15,16)12-7-3-4-9(8(10)5-7)17(11,13)14/h3-6,12H,1-2H3.
What are the key properties of 2-chloro-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride?
2-chloro-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride has a molecular weight of 332.23 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride is sourced from PubChem (CID 60858307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).