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

C12H13ClN2O2S2 — CID 43456084

IUPAC2-chloro-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C12H13ClN2O2S2/c1-9-11(18-12(13)15-9)19(16,17)14-8-7-10-5-3-2-4-6-10/h2-6,14H,7-8H2,1H3
InChIKeyIRCSGVZSMQVIDG-UHFFFAOYSA-N
MW316.84 g/mol
LogP2.63
Rot. Bonds5

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

2-chloro-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 43456084) has the molecular formula C12H13ClN2O2S2 and a molecular weight of 316.84 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide
PubChem CID43456084
Molecular FormulaC12H13ClN2O2S2
Molecular Weight316.84 g/mol
Exact Mass316.01
IUPAC Name2-chloro-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C12H13ClN2O2S2/c1-9-11(18-12(13)15-9)19(16,17)14-8-7-10-5-3-2-4-6-10/h2-6,14H,7-8H2,1H3
InChIKeyIRCSGVZSMQVIDG-UHFFFAOYSA-N
XLogP2.63
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 79471965
2-chloro-4-methyl-N-(2-phenylpropyl)-1,3-thiazole-5-sulfonamide
CID 42956033
2-chloro-N-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 43415395
5-chloro-4-hydroxy-3-methyl-N-(2-phenylethyl)thiophene-2-sulfonamide
CID 91127581
2-chloro-4-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-sulfonamide
CID 61053561
4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]butanoic acid
CID 61249811
2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 103721069
methyl 3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoate
CID 61053412
2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl carbamate
CID 83210333
3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide
CID 61041117
2-chloro-4-methyl-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 106833703
2-chloro-N-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61053536

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide (CID 43456084) is 2-chloro-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NCCc1ccccc1.
What is the InChIKey of 2-chloro-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is IRCSGVZSMQVIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S2/c1-9-11(18-12(13)15-9)19(16,17)14-8-7-10-5-3-2-4-6-10/h2-6,14H,7-8H2,1H3.
What are the key properties of 2-chloro-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide?
2-chloro-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 316.84 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43456084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).