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

C4H5ClN2O2S2 — CID 130552751

IUPAC(2-chloro-1,3-thiazol-4-yl)methanesulfonamide
SMILESNS(=O)(=O)Cc1csc(Cl)n1
InChIInChI=1S/C4H5ClN2O2S2/c5-4-7-3(1-10-4)2-11(6,8)9/h1H,2H2,(H2,6,8,9)
InChIKeyZUXWRWYCCZODLU-UHFFFAOYSA-N
MW212.68 g/mol
LogP0.58
Rot. Bonds2

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

(2-chloro-1,3-thiazol-4-yl)methanesulfonamide (PubChem CID 130552751) has the molecular formula C4H5ClN2O2S2 and a molecular weight of 212.68 g/mol. Its IUPAC name is (2-chloro-1,3-thiazol-4-yl)methanesulfonamide.

Molecular Properties

Compound Name(2-chloro-1,3-thiazol-4-yl)methanesulfonamide
PubChem CID130552751
Molecular FormulaC4H5ClN2O2S2
Molecular Weight212.68 g/mol
Exact Mass211.95
IUPAC Name(2-chloro-1,3-thiazol-4-yl)methanesulfonamide
SMILESNS(=O)(=O)Cc1csc(Cl)n1
InChIInChI=1S/C4H5ClN2O2S2/c5-4-7-3(1-10-4)2-11(6,8)9/h1H,2H2,(H2,6,8,9)
InChIKeyZUXWRWYCCZODLU-UHFFFAOYSA-N
XLogP0.58
TPSA73.05 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 ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-1,3-thiazol-4-yl)ethanamine
CID 70439393
2-[(2-chloro-1,3-thiazol-4-yl)methylsulfonyl]-5-methyl-1,3-benzothiazole
CID 167769670
3-(2-chloro-1,3-thiazol-4-yl)-2,2-dimethylpropanal
CID 130672815
1,2,5-thiadiazol-3-ylmethanesulfonamide
CID 131223688
N-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 122155298
2-(2-methyl-1,3-thiazol-4-yl)ethanesulfonamide
CID 130905513
(2,6-dichloro-3-pyridinyl)methanesulfonamide
CID 106994864
4-(propylsulfonylmethyl)-1,3-thiazol-2-amine
CID 87536696
1-[2-[(2-chloro-1,3-thiazol-4-yl)methylsulfanyl]ethylsulfanyl]-3-methylurea
CID 88760654
[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide
CID 43745271
3-[(2-chloro-1,3-thiazol-4-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 130552627
2-chloro-N-(2-methylsulfonylethyl)-1,3-thiazol-4-amine
CID 130693836

Frequently Asked Questions

What is the IUPAC name of (2-chloro-1,3-thiazol-4-yl)methanesulfonamide?
The IUPAC name of (2-chloro-1,3-thiazol-4-yl)methanesulfonamide (CID 130552751) is (2-chloro-1,3-thiazol-4-yl)methanesulfonamide.
What is the SMILES notation for (2-chloro-1,3-thiazol-4-yl)methanesulfonamide?
The canonical SMILES for (2-chloro-1,3-thiazol-4-yl)methanesulfonamide is NS(=O)(=O)Cc1csc(Cl)n1.
What is the InChIKey of (2-chloro-1,3-thiazol-4-yl)methanesulfonamide?
The InChIKey is ZUXWRWYCCZODLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2O2S2/c5-4-7-3(1-10-4)2-11(6,8)9/h1H,2H2,(H2,6,8,9).
What are the key properties of (2-chloro-1,3-thiazol-4-yl)methanesulfonamide?
(2-chloro-1,3-thiazol-4-yl)methanesulfonamide has a molecular weight of 212.68 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1,3-thiazol-4-yl)methanesulfonamide is sourced from PubChem (CID 130552751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).