2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide

C16H17BrN2O4S2 — CID 6494047

IUPAC2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccccc1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C16H17BrN2O4S2/c17-14-7-8-15(24-14)25(21,22)19-13-6-2-1-5-12(13)16(20)18-10-11-4-3-9-23-11/h1-2,5-8,11,19H,3-4,9-10H2,(H,18,20)
InChIKeyKKOSOTDOLRKAID-UHFFFAOYSA-N
MW445.36 g/mol
LogP3.22
Rot. Bonds6

About 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide

2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 6494047) has the molecular formula C16H17BrN2O4S2 and a molecular weight of 445.36 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID6494047
Molecular FormulaC16H17BrN2O4S2
Molecular Weight445.36 g/mol
Exact Mass443.98
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccccc1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C16H17BrN2O4S2/c17-14-7-8-15(24-14)25(21,22)19-13-6-2-1-5-12(13)16(20)18-10-11-4-3-9-23-11/h1-2,5-8,11,19H,3-4,9-10H2,(H,18,20)
InChIKeyKKOSOTDOLRKAID-UHFFFAOYSA-N
XLogP3.22
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.36
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide (CID 6494047) is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1ccccc1NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is KKOSOTDOLRKAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O4S2/c17-14-7-8-15(24-14)25(21,22)19-13-6-2-1-5-12(13)16(20)18-10-11-4-3-9-23-11/h1-2,5-8,11,19H,3-4,9-10H2,(H,18,20).
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide?
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 445.36 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 6494047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).