4-[(2-chlorothiophen-3-yl)sulfamoylamino]-N,N-dimethyl-3-oxothiophene-2-sulfonamide

C10H12ClN3O5S4 — CID 11560745

IUPAC4-[(2-chlorothiophen-3-yl)sulfamoylamino]-N,N-dimethyl-3-oxothiophene-2-sulfonamide
SMILESCN(C)S(=O)(=O)C1SC=C(NS(=O)(=O)Nc2ccsc2Cl)C1=O
InChIInChI=1S/C10H12ClN3O5S4/c1-14(2)22(16,17)10-8(15)7(5-21-10)13-23(18,19)12-6-3-4-20-9(6)11/h3-5,10,12-13H,1-2H3
InChIKeyZMUVMWXFOJETEN-UHFFFAOYSA-N
MW417.94 g/mol
LogP1.02
Rot. Bonds6

About 4-[(2-chlorothiophen-3-yl)sulfamoylamino]-N,N-dimethyl-3-oxothiophene-2-sulfonamide

4-[(2-chlorothiophen-3-yl)sulfamoylamino]-N,N-dimethyl-3-oxothiophene-2-sulfonamide (PubChem CID 11560745) has the molecular formula C10H12ClN3O5S4 and a molecular weight of 417.94 g/mol. Its IUPAC name is 4-[(2-chlorothiophen-3-yl)sulfamoylamino]-N,N-dimethyl-3-oxothiophene-2-sulfonamide.

Molecular Properties

Compound Name4-[(2-chlorothiophen-3-yl)sulfamoylamino]-N,N-dimethyl-3-oxothiophene-2-sulfonamide
PubChem CID11560745
Molecular FormulaC10H12ClN3O5S4
Molecular Weight417.94 g/mol
Exact Mass416.93
IUPAC Name4-[(2-chlorothiophen-3-yl)sulfamoylamino]-N,N-dimethyl-3-oxothiophene-2-sulfonamide
SMILESCN(C)S(=O)(=O)C1SC=C(NS(=O)(=O)Nc2ccsc2Cl)C1=O
InChIInChI=1S/C10H12ClN3O5S4/c1-14(2)22(16,17)10-8(15)7(5-21-10)13-23(18,19)12-6-3-4-20-9(6)11/h3-5,10,12-13H,1-2H3
InChIKeyZMUVMWXFOJETEN-UHFFFAOYSA-N
XLogP1.02
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorothiophen-3-yl)sulfamoylamino]-N,N-dimethyl-3-oxothiophene-2-sulfonamide?
The IUPAC name of 4-[(2-chlorothiophen-3-yl)sulfamoylamino]-N,N-dimethyl-3-oxothiophene-2-sulfonamide (CID 11560745) is 4-[(2-chlorothiophen-3-yl)sulfamoylamino]-N,N-dimethyl-3-oxothiophene-2-sulfonamide.
What is the SMILES notation for 4-[(2-chlorothiophen-3-yl)sulfamoylamino]-N,N-dimethyl-3-oxothiophene-2-sulfonamide?
The canonical SMILES for 4-[(2-chlorothiophen-3-yl)sulfamoylamino]-N,N-dimethyl-3-oxothiophene-2-sulfonamide is CN(C)S(=O)(=O)C1SC=C(NS(=O)(=O)Nc2ccsc2Cl)C1=O.
What is the InChIKey of 4-[(2-chlorothiophen-3-yl)sulfamoylamino]-N,N-dimethyl-3-oxothiophene-2-sulfonamide?
The InChIKey is ZMUVMWXFOJETEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O5S4/c1-14(2)22(16,17)10-8(15)7(5-21-10)13-23(18,19)12-6-3-4-20-9(6)11/h3-5,10,12-13H,1-2H3.
What are the key properties of 4-[(2-chlorothiophen-3-yl)sulfamoylamino]-N,N-dimethyl-3-oxothiophene-2-sulfonamide?
4-[(2-chlorothiophen-3-yl)sulfamoylamino]-N,N-dimethyl-3-oxothiophene-2-sulfonamide has a molecular weight of 417.94 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorothiophen-3-yl)sulfamoylamino]-N,N-dimethyl-3-oxothiophene-2-sulfonamide is sourced from PubChem (CID 11560745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).