4-(cyclopropylsulfonylamino)-2-methoxybenzenesulfonyl chloride

C10H12ClNO5S2 — CID 64552204

IUPAC4-(cyclopropylsulfonylamino)-2-methoxybenzenesulfonyl chloride
SMILESCOc1cc(NS(=O)(=O)C2CC2)ccc1S(=O)(=O)Cl
InChIInChI=1S/C10H12ClNO5S2/c1-17-9-6-7(2-5-10(9)18(11,13)14)12-19(15,16)8-3-4-8/h2,5-6,8,12H,3-4H2,1H3
InChIKeyQSOZIRUWRJMDCZ-UHFFFAOYSA-N
MW325.80 g/mol
LogP1.53
Rot. Bonds5

About 4-(cyclopropylsulfonylamino)-2-methoxybenzenesulfonyl chloride

4-(cyclopropylsulfonylamino)-2-methoxybenzenesulfonyl chloride (PubChem CID 64552204) has the molecular formula C10H12ClNO5S2 and a molecular weight of 325.80 g/mol. Its IUPAC name is 4-(cyclopropylsulfonylamino)-2-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name4-(cyclopropylsulfonylamino)-2-methoxybenzenesulfonyl chloride
PubChem CID64552204
Molecular FormulaC10H12ClNO5S2
Molecular Weight325.80 g/mol
Exact Mass324.98
IUPAC Name4-(cyclopropylsulfonylamino)-2-methoxybenzenesulfonyl chloride
SMILESCOc1cc(NS(=O)(=O)C2CC2)ccc1S(=O)(=O)Cl
InChIInChI=1S/C10H12ClNO5S2/c1-17-9-6-7(2-5-10(9)18(11,13)14)12-19(15,16)8-3-4-8/h2,5-6,8,12H,3-4H2,1H3
InChIKeyQSOZIRUWRJMDCZ-UHFFFAOYSA-N
XLogP1.53
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfonylamino)-2-methoxybenzenesulfonyl chloride?
The IUPAC name of 4-(cyclopropylsulfonylamino)-2-methoxybenzenesulfonyl chloride (CID 64552204) is 4-(cyclopropylsulfonylamino)-2-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 4-(cyclopropylsulfonylamino)-2-methoxybenzenesulfonyl chloride?
The canonical SMILES for 4-(cyclopropylsulfonylamino)-2-methoxybenzenesulfonyl chloride is COc1cc(NS(=O)(=O)C2CC2)ccc1S(=O)(=O)Cl.
What is the InChIKey of 4-(cyclopropylsulfonylamino)-2-methoxybenzenesulfonyl chloride?
The InChIKey is QSOZIRUWRJMDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO5S2/c1-17-9-6-7(2-5-10(9)18(11,13)14)12-19(15,16)8-3-4-8/h2,5-6,8,12H,3-4H2,1H3.
What are the key properties of 4-(cyclopropylsulfonylamino)-2-methoxybenzenesulfonyl chloride?
4-(cyclopropylsulfonylamino)-2-methoxybenzenesulfonyl chloride has a molecular weight of 325.80 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfonylamino)-2-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 64552204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).