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

C14H17ClN2O2S2 — CID 61052666

IUPAC2-chloro-N-ethyl-4-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCCN(Cc1ccccc1C)S(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C14H17ClN2O2S2/c1-4-17(9-12-8-6-5-7-10(12)2)21(18,19)13-11(3)16-14(15)20-13/h5-8H,4,9H2,1-3H3
InChIKeyYJUROZHBYMJEEV-UHFFFAOYSA-N
MW344.89 g/mol
LogP3.62
Rot. Bonds5

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

2-chloro-N-ethyl-4-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide (PubChem CID 61052666) has the molecular formula C14H17ClN2O2S2 and a molecular weight of 344.89 g/mol. Its IUPAC name is 2-chloro-N-ethyl-4-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-4-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide
PubChem CID61052666
Molecular FormulaC14H17ClN2O2S2
Molecular Weight344.89 g/mol
Exact Mass344.04
IUPAC Name2-chloro-N-ethyl-4-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCCN(Cc1ccccc1C)S(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C14H17ClN2O2S2/c1-4-17(9-12-8-6-5-7-10(12)2)21(18,19)13-11(3)16-14(15)20-13/h5-8H,4,9H2,1-3H3
InChIKeyYJUROZHBYMJEEV-UHFFFAOYSA-N
XLogP3.62
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 60744535
2-chloro-N,N-bis(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61047405
2-chloro-N-ethyl-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide
CID 103768578
N-ethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 47267553
N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 60744536
2-chloro-N-(furan-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 61422760
N-ethyl-3-fluoro-N-[(2-methylphenyl)methyl]pyridine-2-sulfonamide
CID 103299471
3-amino-N-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 43587315
methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate
CID 61047061
2-chloro-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazole-5-sulfonamide
CID 61053573
2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide
CID 61046346
2-chloro-N-cyclopropyl-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 43456224

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-4-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-ethyl-4-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide (CID 61052666) is 2-chloro-N-ethyl-4-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-ethyl-4-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-ethyl-4-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide is CCN(Cc1ccccc1C)S(=O)(=O)c1sc(Cl)nc1C.
What is the InChIKey of 2-chloro-N-ethyl-4-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is YJUROZHBYMJEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S2/c1-4-17(9-12-8-6-5-7-10(12)2)21(18,19)13-11(3)16-14(15)20-13/h5-8H,4,9H2,1-3H3.
What are the key properties of 2-chloro-N-ethyl-4-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-ethyl-4-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 344.89 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-4-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61052666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).