2-chloro-N-(4-thiophen-2-yloxan-4-yl)benzenesulfonamide

C15H16ClNO3S2 — CID 119099312

IUPAC2-chloro-N-(4-thiophen-2-yloxan-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1(c2cccs2)CCOCC1)c1ccccc1Cl
InChIInChI=1S/C15H16ClNO3S2/c16-12-4-1-2-5-13(12)22(18,19)17-15(7-9-20-10-8-15)14-6-3-11-21-14/h1-6,11,17H,7-10H2
InChIKeyIZHQOHVAORHYLR-UHFFFAOYSA-N
MW357.88 g/mol
LogP3.39
Rot. Bonds4

About 2-chloro-N-(4-thiophen-2-yloxan-4-yl)benzenesulfonamide

2-chloro-N-(4-thiophen-2-yloxan-4-yl)benzenesulfonamide (PubChem CID 119099312) has the molecular formula C15H16ClNO3S2 and a molecular weight of 357.88 g/mol. Its IUPAC name is 2-chloro-N-(4-thiophen-2-yloxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-thiophen-2-yloxan-4-yl)benzenesulfonamide
PubChem CID119099312
Molecular FormulaC15H16ClNO3S2
Molecular Weight357.88 g/mol
Exact Mass357.03
IUPAC Name2-chloro-N-(4-thiophen-2-yloxan-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1(c2cccs2)CCOCC1)c1ccccc1Cl
InChIInChI=1S/C15H16ClNO3S2/c16-12-4-1-2-5-13(12)22(18,19)17-15(7-9-20-10-8-15)14-6-3-11-21-14/h1-6,11,17H,7-10H2
InChIKeyIZHQOHVAORHYLR-UHFFFAOYSA-N
XLogP3.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-thiophen-2-yloxan-4-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(4-thiophen-2-yloxan-4-yl)benzenesulfonamide (CID 119099312) is 2-chloro-N-(4-thiophen-2-yloxan-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(4-thiophen-2-yloxan-4-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(4-thiophen-2-yloxan-4-yl)benzenesulfonamide is O=S(=O)(NC1(c2cccs2)CCOCC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(4-thiophen-2-yloxan-4-yl)benzenesulfonamide?
The InChIKey is IZHQOHVAORHYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S2/c16-12-4-1-2-5-13(12)22(18,19)17-15(7-9-20-10-8-15)14-6-3-11-21-14/h1-6,11,17H,7-10H2.
What are the key properties of 2-chloro-N-(4-thiophen-2-yloxan-4-yl)benzenesulfonamide?
2-chloro-N-(4-thiophen-2-yloxan-4-yl)benzenesulfonamide has a molecular weight of 357.88 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-thiophen-2-yloxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 119099312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).