N-(benzenesulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide

C15H14N2O4S3 — CID 648293

IUPACN-(benzenesulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(C1=NCCS1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14N2O4S3/c18-23(19,13-7-3-1-4-8-13)17(15-16-11-12-22-15)24(20,21)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyJWQALXMTYMMEJJ-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.17
Rot. Bonds4

About N-(benzenesulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide

N-(benzenesulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 648293) has the molecular formula C15H14N2O4S3 and a molecular weight of 382.49 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID648293
Molecular FormulaC15H14N2O4S3
Molecular Weight382.49 g/mol
Exact Mass382.01
IUPAC NameN-(benzenesulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(C1=NCCS1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14N2O4S3/c18-23(19,13-7-3-1-4-8-13)17(15-16-11-12-22-15)24(20,21)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyJWQALXMTYMMEJJ-UHFFFAOYSA-N
XLogP2.17
TPSA83.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of N-(benzenesulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide (CID 648293) is N-(benzenesulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-(benzenesulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(c1ccccc1)N(C1=NCCS1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is JWQALXMTYMMEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S3/c18-23(19,13-7-3-1-4-8-13)17(15-16-11-12-22-15)24(20,21)14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of N-(benzenesulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide?
N-(benzenesulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 382.49 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 648293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).