N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-ethoxybenzenesulfonamide

C12H13ClN2O3S2 — CID 108783775

IUPACN-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2nc(CCl)cs2)cc1
InChIInChI=1S/C12H13ClN2O3S2/c1-2-18-10-3-5-11(6-4-10)20(16,17)15-12-14-9(7-13)8-19-12/h3-6,8H,2,7H2,1H3,(H,14,15)
InChIKeyHAZLOVHYSINDHP-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.08
Rot. Bonds6

About N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-ethoxybenzenesulfonamide

N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-ethoxybenzenesulfonamide (PubChem CID 108783775) has the molecular formula C12H13ClN2O3S2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-ethoxybenzenesulfonamide
PubChem CID108783775
Molecular FormulaC12H13ClN2O3S2
Molecular Weight332.83 g/mol
Exact Mass332.01
IUPAC NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2nc(CCl)cs2)cc1
InChIInChI=1S/C12H13ClN2O3S2/c1-2-18-10-3-5-11(6-4-10)20(16,17)15-12-14-9(7-13)8-19-12/h3-6,8H,2,7H2,1H3,(H,14,15)
InChIKeyHAZLOVHYSINDHP-UHFFFAOYSA-N
XLogP3.08
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N'-(4-chloro-1,3-thiazol-2-yl)-4-ethoxybenzenesulfonohydrazide
CID 123219813
N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethoxybenzenesulfonamide
CID 110718117
ethyl 2-[2-[(4-cyanophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10269387
N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide
CID 22202469
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
N-(6-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide
CID 104821273
4-ethoxy-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 100727124
methyl 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 43624510
2-[2-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546649
N-(3-chloroquinoxalin-2-yl)-4-ethoxybenzenesulfonamide
CID 2410711
1-(4-ethoxyphenyl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea
CID 25043569
4-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 656127

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-ethoxybenzenesulfonamide (CID 108783775) is N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2nc(CCl)cs2)cc1.
What is the InChIKey of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-ethoxybenzenesulfonamide?
The InChIKey is HAZLOVHYSINDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S2/c1-2-18-10-3-5-11(6-4-10)20(16,17)15-12-14-9(7-13)8-19-12/h3-6,8H,2,7H2,1H3,(H,14,15).
What are the key properties of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-ethoxybenzenesulfonamide?
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-ethoxybenzenesulfonamide has a molecular weight of 332.83 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 108783775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).