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

C13H15ClN2O2S2 — CID 43415353

IUPAC2-chloro-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C13H15ClN2O2S2/c1-8(2)10-4-6-11(7-5-10)16-20(17,18)12-9(3)15-13(14)19-12/h4-8,16H,1-3H3
InChIKeyAQBGIFWBERZFAP-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.03
Rot. Bonds4

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

2-chloro-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-sulfonamide (PubChem CID 43415353) has the molecular formula C13H15ClN2O2S2 and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-sulfonamide
PubChem CID43415353
Molecular FormulaC13H15ClN2O2S2
Molecular Weight330.86 g/mol
Exact Mass330.03
IUPAC Name2-chloro-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C13H15ClN2O2S2/c1-8(2)10-4-6-11(7-5-10)16-20(17,18)12-9(3)15-13(14)19-12/h4-8,16H,1-3H3
InChIKeyAQBGIFWBERZFAP-UHFFFAOYSA-N
XLogP4.03
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[4-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 43415373
2-chloro-4-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide
CID 79240768
2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 115376859
2-chloro-N-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61053536
2-chloro-4-methyl-N-(2-phenylpropyl)-1,3-thiazole-5-sulfonamide
CID 42956033
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide
CID 61053706
2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 66194876
2-chloro-N-(4-chloro-3-nitrophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61051495
2-chloro-N-(2,6-dichloro-3-methylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 43456130
2-chloro-N-[1-(4-cyanophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 61040952
N-(5-bromo-2-chlorophenyl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide
CID 62908053
2-chloro-4-methyl-N-(3-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide
CID 55233131

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-sulfonamide (CID 43415353) is 2-chloro-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 2-chloro-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is AQBGIFWBERZFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S2/c1-8(2)10-4-6-11(7-5-10)16-20(17,18)12-9(3)15-13(14)19-12/h4-8,16H,1-3H3.
What are the key properties of 2-chloro-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-sulfonamide?
2-chloro-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 330.86 g/mol, XLogP of 4.03, 4 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-(4-propan-2-ylphenyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43415353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).