2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide

C9H13ClN2O4S3 — CID 81038970

IUPAC2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCC1CCCS1(=O)=O
InChIInChI=1S/C9H13ClN2O4S3/c1-6-8(17-9(10)12-6)19(15,16)11-5-7-3-2-4-18(7,13)14/h7,11H,2-5H2,1H3
InChIKeyRNCFHBMVZUBFLJ-UHFFFAOYSA-N
MW344.87 g/mol
LogP0.96
Rot. Bonds4

About 2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 81038970) has the molecular formula C9H13ClN2O4S3 and a molecular weight of 344.87 g/mol. Its IUPAC name is 2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID81038970
Molecular FormulaC9H13ClN2O4S3
Molecular Weight344.87 g/mol
Exact Mass343.97
IUPAC Name2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCC1CCCS1(=O)=O
InChIInChI=1S/C9H13ClN2O4S3/c1-6-8(17-9(10)12-6)19(15,16)11-5-7-3-2-4-18(7,13)14/h7,11H,2-5H2,1H3
InChIKeyRNCFHBMVZUBFLJ-UHFFFAOYSA-N
XLogP0.96
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.87
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 61047011
2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-4,5-dimethylbenzenesulfonamide
CID 81041483
3-amino-5-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-4-methylbenzenesulfonamide
CID 81041486
2-chloro-4-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-sulfonamide
CID 61053561
2-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61045608
2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 62522279
2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3,6-dimethylbenzenesulfonamide
CID 103171663
2-chloro-N-(2-cyclopropylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 103721164
2-chloro-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazole-5-sulfonamide
CID 79550454
2-chloro-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide
CID 43456084
3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide
CID 61041117
2-chloro-N-[2-(hydroxymethyl)cyclohexyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 103858666

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide (CID 81038970) is 2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NCC1CCCS1(=O)=O.
What is the InChIKey of 2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is RNCFHBMVZUBFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O4S3/c1-6-8(17-9(10)12-6)19(15,16)11-5-7-3-2-4-18(7,13)14/h7,11H,2-5H2,1H3.
What are the key properties of 2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 344.87 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 81038970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).