N-(4-chloro-1,3-thiazol-2-yl)methanesulfonamide

C4H5ClN2O2S2 — CID 90912534

IUPACN-(4-chloro-1,3-thiazol-2-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1nc(Cl)cs1
InChIInChI=1S/C4H5ClN2O2S2/c1-11(8,9)7-4-6-3(5)2-10-4/h2H,1H3,(H,6,7)
InChIKeyCFCAHIMMAVDFJS-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.17
Rot. Bonds2

About N-(4-chloro-1,3-thiazol-2-yl)methanesulfonamide

N-(4-chloro-1,3-thiazol-2-yl)methanesulfonamide (PubChem CID 90912534) has the molecular formula C4H5ClN2O2S2 and a molecular weight of 212.68 g/mol. Its IUPAC name is N-(4-chloro-1,3-thiazol-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-1,3-thiazol-2-yl)methanesulfonamide
PubChem CID90912534
Molecular FormulaC4H5ClN2O2S2
Molecular Weight212.68 g/mol
Exact Mass211.95
IUPAC NameN-(4-chloro-1,3-thiazol-2-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1nc(Cl)cs1
InChIInChI=1S/C4H5ClN2O2S2/c1-11(8,9)7-4-6-3(5)2-10-4/h2H,1H3,(H,6,7)
InChIKeyCFCAHIMMAVDFJS-UHFFFAOYSA-N
XLogP1.17
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-thiazol-2-yl)methanesulfonamide?
The IUPAC name of N-(4-chloro-1,3-thiazol-2-yl)methanesulfonamide (CID 90912534) is N-(4-chloro-1,3-thiazol-2-yl)methanesulfonamide.
What is the SMILES notation for N-(4-chloro-1,3-thiazol-2-yl)methanesulfonamide?
The canonical SMILES for N-(4-chloro-1,3-thiazol-2-yl)methanesulfonamide is CS(=O)(=O)Nc1nc(Cl)cs1.
What is the InChIKey of N-(4-chloro-1,3-thiazol-2-yl)methanesulfonamide?
The InChIKey is CFCAHIMMAVDFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2O2S2/c1-11(8,9)7-4-6-3(5)2-10-4/h2H,1H3,(H,6,7).
What are the key properties of N-(4-chloro-1,3-thiazol-2-yl)methanesulfonamide?
N-(4-chloro-1,3-thiazol-2-yl)methanesulfonamide has a molecular weight of 212.68 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,3-thiazol-2-yl)methanesulfonamide is sourced from PubChem (CID 90912534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).