4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

C11H11ClN2O2S2 — CID 28719509

IUPAC4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(CCCl)cc1
InChIInChI=1S/C11H11ClN2O2S2/c12-6-5-9-1-3-10(4-2-9)18(15,16)14-11-13-7-8-17-11/h1-4,7-8H,5-6H2,(H,13,14)
InChIKeyIAYDXSHDMPVSMH-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.73
Rot. Bonds5

About 4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 28719509) has the molecular formula C11H11ClN2O2S2 and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID28719509
Molecular FormulaC11H11ClN2O2S2
Molecular Weight302.81 g/mol
Exact Mass302.00
IUPAC Name4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(CCCl)cc1
InChIInChI=1S/C11H11ClN2O2S2/c12-6-5-9-1-3-10(4-2-9)18(15,16)14-11-13-7-8-17-11/h1-4,7-8H,5-6H2,(H,13,14)
InChIKeyIAYDXSHDMPVSMH-UHFFFAOYSA-N
XLogP2.73
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031784
4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87471470
4-[(4-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71580375
4-(2-chloroethyl)-N-[2-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 104600728
ethane;4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 145483672
4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 653937
[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azanium tetrafluoroborate
CID 139204733
4-(2-methylbutan-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 166217835
4-(2-methyl-2-propan-2-ylsulfanylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 170091244
3-(4-propan-2-ylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 19221513
4-(3-aminoprop-1-ynyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 54926490
4-(3-hydroxyprop-1-ynyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 60823787

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 28719509) is 4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccs1)c1ccc(CCCl)cc1.
What is the InChIKey of 4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is IAYDXSHDMPVSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S2/c12-6-5-9-1-3-10(4-2-9)18(15,16)14-11-13-7-8-17-11/h1-4,7-8H,5-6H2,(H,13,14).
What are the key properties of 4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 302.81 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 28719509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).