2-chloro-N-(furan-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide

C10H11ClN2O3S2 — CID 61422760

IUPAC2-chloro-N-(furan-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N(C)Cc1ccoc1
InChIInChI=1S/C10H11ClN2O3S2/c1-7-9(17-10(11)12-7)18(14,15)13(2)5-8-3-4-16-6-8/h3-4,6H,5H2,1-2H3
InChIKeyVJLPPSXSEAKHRO-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.52
Rot. Bonds4

About 2-chloro-N-(furan-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide

2-chloro-N-(furan-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide (PubChem CID 61422760) has the molecular formula C10H11ClN2O3S2 and a molecular weight of 306.80 g/mol. Its IUPAC name is 2-chloro-N-(furan-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(furan-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide
PubChem CID61422760
Molecular FormulaC10H11ClN2O3S2
Molecular Weight306.80 g/mol
Exact Mass305.99
IUPAC Name2-chloro-N-(furan-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N(C)Cc1ccoc1
InChIInChI=1S/C10H11ClN2O3S2/c1-7-9(17-10(11)12-7)18(14,15)13(2)5-8-3-4-16-6-8/h3-4,6H,5H2,1-2H3
InChIKeyVJLPPSXSEAKHRO-UHFFFAOYSA-N
XLogP2.52
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 60744536
2-chloro-N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 60744551
2-chloro-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazole-5-sulfonamide
CID 61422711
N-[(5-bromofuran-2-yl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 61047016
2-chloro-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 60744535
6-chloro-N-(furan-3-ylmethyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61422810
2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide
CID 43456249
N-(furan-3-ylmethyl)-N,3,4-trimethylbenzenesulfonamide
CID 47358994
2-chloro-N-cyclopropyl-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 43456224
2-chloro-N-ethyl-4-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61052666
2-chloro-N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 63236535
2-[5-[furan-3-ylmethyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 61221699

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(furan-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide (CID 61422760) is 2-chloro-N-(furan-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(furan-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(furan-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)N(C)Cc1ccoc1.
What is the InChIKey of 2-chloro-N-(furan-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
The InChIKey is VJLPPSXSEAKHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3S2/c1-7-9(17-10(11)12-7)18(14,15)13(2)5-8-3-4-16-6-8/h3-4,6H,5H2,1-2H3.
What are the key properties of 2-chloro-N-(furan-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-(furan-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide has a molecular weight of 306.80 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(furan-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61422760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).