N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide

C17H16N2O2S2 — CID 54773762

IUPACN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1nc(-c2ccccc2)cs1)c1ccccc1
InChIInChI=1S/C17H16N2O2S2/c20-23(21,15-9-5-2-6-10-15)18-12-11-17-19-16(13-22-17)14-7-3-1-4-8-14/h1-10,13,18H,11-12H2
InChIKeyHVPXNDNFRMHBPW-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.33
Rot. Bonds6

About N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide

N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 54773762) has the molecular formula C17H16N2O2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID54773762
Molecular FormulaC17H16N2O2S2
Molecular Weight344.46 g/mol
Exact Mass344.07
IUPAC NameN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1nc(-c2ccccc2)cs1)c1ccccc1
InChIInChI=1S/C17H16N2O2S2/c20-23(21,15-9-5-2-6-10-15)18-12-11-17-19-16(13-22-17)14-7-3-1-4-8-14/h1-10,13,18H,11-12H2
InChIKeyHVPXNDNFRMHBPW-UHFFFAOYSA-N
XLogP3.33
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 54773764
2-[2-(benzenesulfonamido)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374307
4-ethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317833
4-methoxy-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317708
1-phenyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide
CID 154805217
2-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317740
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 1497759
3-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317603
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 79016244
N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 53090258
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzenesulfonamide
CID 92659518
N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]methanesulfonamide
CID 110393596

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide (CID 54773762) is N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1nc(-c2ccccc2)cs1)c1ccccc1.
What is the InChIKey of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is HVPXNDNFRMHBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S2/c20-23(21,15-9-5-2-6-10-15)18-12-11-17-19-16(13-22-17)14-7-3-1-4-8-14/h1-10,13,18H,11-12H2.
What are the key properties of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 344.46 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 54773762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).