2-chloro-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide

C9H13ClN2O3S2 — CID 61047011

IUPAC2-chloro-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCC1CCOC1
InChIInChI=1S/C9H13ClN2O3S2/c1-6-8(16-9(10)12-6)17(13,14)11-4-7-2-3-15-5-7/h7,11H,2-5H2,1H3
InChIKeyGNEXUGAWXOZRPV-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.42
Rot. Bonds4

About 2-chloro-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide

2-chloro-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 61047011) has the molecular formula C9H13ClN2O3S2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide
PubChem CID61047011
Molecular FormulaC9H13ClN2O3S2
Molecular Weight296.80 g/mol
Exact Mass296.01
IUPAC Name2-chloro-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCC1CCOC1
InChIInChI=1S/C9H13ClN2O3S2/c1-6-8(16-9(10)12-6)17(13,14)11-4-7-2-3-15-5-7/h7,11H,2-5H2,1H3
InChIKeyGNEXUGAWXOZRPV-UHFFFAOYSA-N
XLogP1.42
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 63945815
2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 81038970
2-chloro-N-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 43415395
3-amino-5-chloro-2-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 114379143
3,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 94192827
3,5-dimethyl-N-[[(3S)-oxan-3-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 94192826
2-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-3-(oxolan-3-yl)propanoic acid
CID 146128072
2-chloro-N-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 47298748
2-chloro-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazole-5-sulfonamide
CID 79550454
2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 104706006
2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 63946412
N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203502

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide (CID 61047011) is 2-chloro-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NCC1CCOC1.
What is the InChIKey of 2-chloro-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is GNEXUGAWXOZRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O3S2/c1-6-8(16-9(10)12-6)17(13,14)11-4-7-2-3-15-5-7/h7,11H,2-5H2,1H3.
What are the key properties of 2-chloro-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide?
2-chloro-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 296.80 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61047011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).