N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide

C10H10N2O2S2 — CID 23020684

IUPACN-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1nccs1)c1ccccc1
InChIInChI=1S/C10H10N2O2S2/c13-16(14,9-4-2-1-3-5-9)12-8-10-11-6-7-15-10/h1-7,12H,8H2
InChIKeyCUAOCBPDRGDJIT-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.62
Rot. Bonds4

About N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide

N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide (PubChem CID 23020684) has the molecular formula C10H10N2O2S2 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
PubChem CID23020684
Molecular FormulaC10H10N2O2S2
Molecular Weight254.34 g/mol
Exact Mass254.02
IUPAC NameN-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1nccs1)c1ccccc1
InChIInChI=1S/C10H10N2O2S2/c13-16(14,9-4-2-1-3-5-9)12-8-10-11-6-7-15-10/h1-7,12H,8H2
InChIKeyCUAOCBPDRGDJIT-UHFFFAOYSA-N
XLogP1.62
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 236564
CID 236564
CID 130345003
CID 130345003
CID 676567
CID 676567
CID 370023
CID 370023
CID 270385
CID 270385
CID 155532402
CID 155532402
CID 130344866
CID 130344866
CID 130344979
CID 130344979
CID 130344980
CID 130344980
CID 130345002
CID 130345002
CID 130345156
CID 130345156
CID 53322801
CID 53322801

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide (CID 23020684) is N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1nccs1)c1ccccc1.
What is the InChIKey of N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The InChIKey is CUAOCBPDRGDJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S2/c13-16(14,9-4-2-1-3-5-9)12-8-10-11-6-7-15-10/h1-7,12H,8H2.
What are the key properties of N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide has a molecular weight of 254.34 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 23020684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).