2-(difluoromethylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonyl chloride

C5H5ClF2N2O4S3 — CID 63945635

IUPAC2-(difluoromethylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonyl chloride
SMILESCc1nc(NS(=O)(=O)C(F)F)sc1S(=O)(=O)Cl
InChIInChI=1S/C5H5ClF2N2O4S3/c1-2-3(16(6,11)12)15-5(9-2)10-17(13,14)4(7)8/h4H,1H3,(H,9,10)
InChIKeyLVVBXLVQDJKNAJ-UHFFFAOYSA-N
MW326.76 g/mol
LogP1.34
Rot. Bonds4

About 2-(difluoromethylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonyl chloride

2-(difluoromethylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonyl chloride (PubChem CID 63945635) has the molecular formula C5H5ClF2N2O4S3 and a molecular weight of 326.76 g/mol. Its IUPAC name is 2-(difluoromethylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonyl chloride.

Molecular Properties

Compound Name2-(difluoromethylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonyl chloride
PubChem CID63945635
Molecular FormulaC5H5ClF2N2O4S3
Molecular Weight326.76 g/mol
Exact Mass325.91
IUPAC Name2-(difluoromethylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonyl chloride
SMILESCc1nc(NS(=O)(=O)C(F)F)sc1S(=O)(=O)Cl
InChIInChI=1S/C5H5ClF2N2O4S3/c1-2-3(16(6,11)12)15-5(9-2)10-17(13,14)4(7)8/h4H,1H3,(H,9,10)
InChIKeyLVVBXLVQDJKNAJ-UHFFFAOYSA-N
XLogP1.34
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.76
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-Thiazolesulfonylfluoride, 2-amino-4-methyl-
CID 270743
2-Amino-4-methyl-1,3-thiazole-5-sulfonic acid
CID 3281421
N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanesulfonamide
CID 134100229
2-Thiazolamine, 4-methyl-5-[(trifluoromethyl)thio]-
CID 43625015
4-Methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-2-amine
CID 24703334
5-(Difluoromethylsulfanyl)-4-methyl-1,3-thiazol-2-amine
CID 43250726
5-(2,2-Difluoroethylsulfanyl)-4-methyl-1,3-thiazol-2-amine
CID 60922403
4-Methyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-sulfonyl chloride
CID 63945634
2-amino-4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide
CID 63946014
2-amino-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 63946409
2-amino-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 63946588
2-amino-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 63946611

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonyl chloride?
The IUPAC name of 2-(difluoromethylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonyl chloride (CID 63945635) is 2-(difluoromethylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonyl chloride.
What is the SMILES notation for 2-(difluoromethylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonyl chloride?
The canonical SMILES for 2-(difluoromethylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonyl chloride is Cc1nc(NS(=O)(=O)C(F)F)sc1S(=O)(=O)Cl.
What is the InChIKey of 2-(difluoromethylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonyl chloride?
The InChIKey is LVVBXLVQDJKNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClF2N2O4S3/c1-2-3(16(6,11)12)15-5(9-2)10-17(13,14)4(7)8/h4H,1H3,(H,9,10).
What are the key properties of 2-(difluoromethylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonyl chloride?
2-(difluoromethylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonyl chloride has a molecular weight of 326.76 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonyl chloride is sourced from PubChem (CID 63945635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).