2-chloro-5-(ethenylsulfonylamino)-N,N-dimethylbenzenesulfonamide

C10H13ClN2O4S2 — CID 155566179

IUPAC2-chloro-5-(ethenylsulfonylamino)-N,N-dimethylbenzenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C10H13ClN2O4S2/c1-4-18(14,15)12-8-5-6-9(11)10(7-8)19(16,17)13(2)3/h4-7,12H,1H2,2-3H3
InChIKeyAJMAOXVVJZMRBA-UHFFFAOYSA-N
MW324.81 g/mol
LogP1.48
Rot. Bonds5

About 2-chloro-5-(ethenylsulfonylamino)-N,N-dimethylbenzenesulfonamide

2-chloro-5-(ethenylsulfonylamino)-N,N-dimethylbenzenesulfonamide (PubChem CID 155566179) has the molecular formula C10H13ClN2O4S2 and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-chloro-5-(ethenylsulfonylamino)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(ethenylsulfonylamino)-N,N-dimethylbenzenesulfonamide
PubChem CID155566179
Molecular FormulaC10H13ClN2O4S2
Molecular Weight324.81 g/mol
Exact Mass324.00
IUPAC Name2-chloro-5-(ethenylsulfonylamino)-N,N-dimethylbenzenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C10H13ClN2O4S2/c1-4-18(14,15)12-8-5-6-9(11)10(7-8)19(16,17)13(2)3/h4-7,12H,1H2,2-3H3
InChIKeyAJMAOXVVJZMRBA-UHFFFAOYSA-N
XLogP1.48
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(ethenylsulfonylamino)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-chloro-5-(ethenylsulfonylamino)-N,N-dimethylbenzenesulfonamide (CID 155566179) is 2-chloro-5-(ethenylsulfonylamino)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(ethenylsulfonylamino)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-chloro-5-(ethenylsulfonylamino)-N,N-dimethylbenzenesulfonamide is C=CS(=O)(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 2-chloro-5-(ethenylsulfonylamino)-N,N-dimethylbenzenesulfonamide?
The InChIKey is AJMAOXVVJZMRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O4S2/c1-4-18(14,15)12-8-5-6-9(11)10(7-8)19(16,17)13(2)3/h4-7,12H,1H2,2-3H3.
What are the key properties of 2-chloro-5-(ethenylsulfonylamino)-N,N-dimethylbenzenesulfonamide?
2-chloro-5-(ethenylsulfonylamino)-N,N-dimethylbenzenesulfonamide has a molecular weight of 324.81 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(ethenylsulfonylamino)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 155566179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).