2-chloro-N-methyl-1,3-thiazole-5-sulfonamide

C4H5ClN2O2S2 — CID 43455781

IUPAC2-chloro-N-methyl-1,3-thiazole-5-sulfonamide
SMILESCNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C4H5ClN2O2S2/c1-6-11(8,9)3-2-7-4(5)10-3/h2,6H,1H3
InChIKeyCNDGGMFVOBWIJN-UHFFFAOYSA-N
MW212.68 g/mol
LogP0.70
Rot. Bonds2

About 2-chloro-N-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 43455781) has the molecular formula C4H5ClN2O2S2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-chloro-N-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-methyl-1,3-thiazole-5-sulfonamide
PubChem CID43455781
Molecular FormulaC4H5ClN2O2S2
Molecular Weight212.68 g/mol
Exact Mass211.95
IUPAC Name2-chloro-N-methyl-1,3-thiazole-5-sulfonamide
SMILESCNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C4H5ClN2O2S2/c1-6-11(8,9)3-2-7-4(5)10-3/h2,6H,1H3
InChIKeyCNDGGMFVOBWIJN-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide
CID 61472310
2-chloro-N-(2,6-dibromo-4-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 43455933
N-(4-bromo-2,6-difluorophenyl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 65467042
2-chloro-N-(2-propan-2-yloxyethyl)-1,3-thiazole-5-sulfonamide
CID 104760009
2-chloro-N-[(4-ethylphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 106899619
2-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 43455848
2-chloro-N-(2-methoxypropyl)-1,3-thiazole-5-sulfonamide
CID 102697806
2-chloro-N-(3-hydroxypropyl)-1,3-thiazole-5-sulfonamide
CID 61051529
N-(4-bromophenyl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 43427435
2-chloro-N-(2-chlorophenyl)-1,3-thiazole-5-sulfonamide
CID 43427443
2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-1,3-thiazole-5-sulfonamide
CID 64549307
2-chloro-N-(2-ethylphenyl)-1,3-thiazole-5-sulfonamide
CID 43455810

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-methyl-1,3-thiazole-5-sulfonamide (CID 43455781) is 2-chloro-N-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-methyl-1,3-thiazole-5-sulfonamide is CNS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is CNDGGMFVOBWIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2O2S2/c1-6-11(8,9)3-2-7-4(5)10-3/h2,6H,1H3.
What are the key properties of 2-chloro-N-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 212.68 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43455781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).