4-(dimethylamino)benzenesulfonyl chloride

C8H10ClNO2S — CID 12506943

IUPAC4-(dimethylamino)benzenesulfonyl chloride
SMILESCN(C)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C8H10ClNO2S/c1-10(2)7-3-5-8(6-4-7)13(9,11)12/h3-6H,1-2H3
InChIKeyRTQAIFXZCMVBDT-UHFFFAOYSA-N
MW219.69 g/mol
LogP1.68
Rot. Bonds2

About 4-(dimethylamino)benzenesulfonyl chloride

4-(dimethylamino)benzenesulfonyl chloride (PubChem CID 12506943) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is 4-(dimethylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(dimethylamino)benzenesulfonyl chloride
PubChem CID12506943
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC Name4-(dimethylamino)benzenesulfonyl chloride
SMILESCN(C)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C8H10ClNO2S/c1-10(2)7-3-5-8(6-4-7)13(9,11)12/h3-6H,1-2H3
InChIKeyRTQAIFXZCMVBDT-UHFFFAOYSA-N
XLogP1.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)benzenesulfonyl chloride?
The IUPAC name of 4-(dimethylamino)benzenesulfonyl chloride (CID 12506943) is 4-(dimethylamino)benzenesulfonyl chloride.
What is the SMILES notation for 4-(dimethylamino)benzenesulfonyl chloride?
The canonical SMILES for 4-(dimethylamino)benzenesulfonyl chloride is CN(C)c1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-(dimethylamino)benzenesulfonyl chloride?
The InChIKey is RTQAIFXZCMVBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S/c1-10(2)7-3-5-8(6-4-7)13(9,11)12/h3-6H,1-2H3.
What are the key properties of 4-(dimethylamino)benzenesulfonyl chloride?
4-(dimethylamino)benzenesulfonyl chloride has a molecular weight of 219.69 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)benzenesulfonyl chloride is sourced from PubChem (CID 12506943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).