N,N-bis(chlorosulfonyl)sulfamoyl chloride

Cl3NO6S3 — CID 154385952

IUPACN,N-bis(chlorosulfonyl)sulfamoyl chloride
SMILESO=S(=O)(Cl)N(S(=O)(=O)Cl)S(=O)(=O)Cl
InChIInChI=1S/Cl3NO6S3/c1-11(5,6)4(12(2,7)8)13(3,9)10
InChIKeyFGCVVWLDFJVVQN-UHFFFAOYSA-N
MW312.56 g/mol
LogP-0.26
Rot. Bonds3

About N,N-bis(chlorosulfonyl)sulfamoyl chloride

N,N-bis(chlorosulfonyl)sulfamoyl chloride (PubChem CID 154385952) has the molecular formula Cl3NO6S3 and a molecular weight of 312.56 g/mol. Its IUPAC name is N,N-bis(chlorosulfonyl)sulfamoyl chloride.

Molecular Properties

Compound NameN,N-bis(chlorosulfonyl)sulfamoyl chloride
PubChem CID154385952
Molecular FormulaCl3NO6S3
Molecular Weight312.56 g/mol
Exact Mass310.80
IUPAC NameN,N-bis(chlorosulfonyl)sulfamoyl chloride
SMILESO=S(=O)(Cl)N(S(=O)(=O)Cl)S(=O)(=O)Cl
InChIInChI=1S/Cl3NO6S3/c1-11(5,6)4(12(2,7)8)13(3,9)10
InChIKeyFGCVVWLDFJVVQN-UHFFFAOYSA-N
XLogP-0.26
TPSA105.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.56
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(chlorosulfonyl)sulfamoyl chloride?
The IUPAC name of N,N-bis(chlorosulfonyl)sulfamoyl chloride (CID 154385952) is N,N-bis(chlorosulfonyl)sulfamoyl chloride.
What is the SMILES notation for N,N-bis(chlorosulfonyl)sulfamoyl chloride?
The canonical SMILES for N,N-bis(chlorosulfonyl)sulfamoyl chloride is O=S(=O)(Cl)N(S(=O)(=O)Cl)S(=O)(=O)Cl.
What is the InChIKey of N,N-bis(chlorosulfonyl)sulfamoyl chloride?
The InChIKey is FGCVVWLDFJVVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/Cl3NO6S3/c1-11(5,6)4(12(2,7)8)13(3,9)10.
What are the key properties of N,N-bis(chlorosulfonyl)sulfamoyl chloride?
N,N-bis(chlorosulfonyl)sulfamoyl chloride has a molecular weight of 312.56 g/mol, XLogP of -0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(chlorosulfonyl)sulfamoyl chloride is sourced from PubChem (CID 154385952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).