5-chloro-N-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]-1-methylpyrazole-4-sulfonamide

C12H15ClN4O3S2 — CID 167763933

IUPAC5-chloro-N-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1ncc(S(=O)(=O)Nc2ccccc2N=S(C)(C)=O)c1Cl
InChIInChI=1S/C12H15ClN4O3S2/c1-17-12(13)11(8-14-17)22(19,20)16-10-7-5-4-6-9(10)15-21(2,3)18/h4-8,16H,1-3H3
InChIKeyOYJNBSZEIQNJJJ-UHFFFAOYSA-N
MW362.86 g/mol
LogP2.23
Rot. Bonds4

About 5-chloro-N-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]-1-methylpyrazole-4-sulfonamide

5-chloro-N-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 167763933) has the molecular formula C12H15ClN4O3S2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 5-chloro-N-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]-1-methylpyrazole-4-sulfonamide
PubChem CID167763933
Molecular FormulaC12H15ClN4O3S2
Molecular Weight362.86 g/mol
Exact Mass362.03
IUPAC Name5-chloro-N-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1ncc(S(=O)(=O)Nc2ccccc2N=S(C)(C)=O)c1Cl
InChIInChI=1S/C12H15ClN4O3S2/c1-17-12(13)11(8-14-17)22(19,20)16-10-7-5-4-6-9(10)15-21(2,3)18/h4-8,16H,1-3H3
InChIKeyOYJNBSZEIQNJJJ-UHFFFAOYSA-N
XLogP2.23
TPSA93.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]-1-methylpyrazole-4-sulfonamide (CID 167763933) is 5-chloro-N-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]-1-methylpyrazole-4-sulfonamide is Cn1ncc(S(=O)(=O)Nc2ccccc2N=S(C)(C)=O)c1Cl.
What is the InChIKey of 5-chloro-N-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is OYJNBSZEIQNJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O3S2/c1-17-12(13)11(8-14-17)22(19,20)16-10-7-5-4-6-9(10)15-21(2,3)18/h4-8,16H,1-3H3.
What are the key properties of 5-chloro-N-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]-1-methylpyrazole-4-sulfonamide?
5-chloro-N-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 362.86 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 167763933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).