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

C14H17ClN2O2S2 — CID 104600728

IUPAC4-(2-chloroethyl)-N-[2-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(CCCl)cc1)c1nccs1
InChIInChI=1S/C14H17ClN2O2S2/c1-11(14-16-8-9-20-14)10-17-21(18,19)13-4-2-12(3-5-13)6-7-15/h2-5,8-9,11,17H,6-7,10H2,1H3
InChIKeyAFOLNUIGYCGXTM-UHFFFAOYSA-N
MW344.89 g/mol
LogP3.01
Rot. Bonds7

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

4-(2-chloroethyl)-N-[2-(1,3-thiazol-2-yl)propyl]benzenesulfonamide (PubChem CID 104600728) has the molecular formula C14H17ClN2O2S2 and a molecular weight of 344.89 g/mol. Its IUPAC name is 4-(2-chloroethyl)-N-[2-(1,3-thiazol-2-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-chloroethyl)-N-[2-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
PubChem CID104600728
Molecular FormulaC14H17ClN2O2S2
Molecular Weight344.89 g/mol
Exact Mass344.04
IUPAC Name4-(2-chloroethyl)-N-[2-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(CCCl)cc1)c1nccs1
InChIInChI=1S/C14H17ClN2O2S2/c1-11(14-16-8-9-20-14)10-17-21(18,19)13-4-2-12(3-5-13)6-7-15/h2-5,8-9,11,17H,6-7,10H2,1H3
InChIKeyAFOLNUIGYCGXTM-UHFFFAOYSA-N
XLogP3.01
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 53.01
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-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28719509
4-(2-chloroethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 62694206
methyl 2-chloro-4-[[(2S)-2-(1,3-thiazol-2-yl)propyl]sulfamoyl]benzoate
CID 124618800
4-(2-chloroethyl)-N-(2,2-dimethoxyethyl)benzenesulfonamide
CID 28719373
5-chloro-1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]imidazole-4-sulfonamide
CID 113431393
4-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]benzenesulfonamide
CID 104585008
1-(5-nitrothiophen-3-yl)-N-[2-(1,3-thiazol-2-yl)propyl]methanesulfonamide
CID 136571392
4-(2-chloroethyl)-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide
CID 107858759
4-[2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031784
1-(oxan-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide
CID 99823190
4-(2-chloroethyl)-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide
CID 103858988
2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-N-[2-(1,3-thiazol-2-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-(2-chloroethyl)-N-[2-(1,3-thiazol-2-yl)propyl]benzenesulfonamide (CID 104600728) is 4-(2-chloroethyl)-N-[2-(1,3-thiazol-2-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-chloroethyl)-N-[2-(1,3-thiazol-2-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-(2-chloroethyl)-N-[2-(1,3-thiazol-2-yl)propyl]benzenesulfonamide is CC(CNS(=O)(=O)c1ccc(CCCl)cc1)c1nccs1.
What is the InChIKey of 4-(2-chloroethyl)-N-[2-(1,3-thiazol-2-yl)propyl]benzenesulfonamide?
The InChIKey is AFOLNUIGYCGXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S2/c1-11(14-16-8-9-20-14)10-17-21(18,19)13-4-2-12(3-5-13)6-7-15/h2-5,8-9,11,17H,6-7,10H2,1H3.
What are the key properties of 4-(2-chloroethyl)-N-[2-(1,3-thiazol-2-yl)propyl]benzenesulfonamide?
4-(2-chloroethyl)-N-[2-(1,3-thiazol-2-yl)propyl]benzenesulfonamide has a molecular weight of 344.89 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-N-[2-(1,3-thiazol-2-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 104600728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).