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

C18H15BrN2O3S2 — CID 1006877

IUPACN-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]benzamide
SMILESO=C(NCc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C18H15BrN2O3S2/c19-16-10-11-17(25-16)26(23,24)21-15-9-5-4-8-14(15)18(22)20-12-13-6-2-1-3-7-13/h1-11,21H,12H2,(H,20,22)
InChIKeyHDNMDWMJAFRPCT-UHFFFAOYSA-N
MW451.37 g/mol
LogP4.24
Rot. Bonds6

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

N-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]benzamide (PubChem CID 1006877) has the molecular formula C18H15BrN2O3S2 and a molecular weight of 451.37 g/mol. Its IUPAC name is N-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]benzamide
PubChem CID1006877
Molecular FormulaC18H15BrN2O3S2
Molecular Weight451.37 g/mol
Exact Mass449.97
IUPAC NameN-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]benzamide
SMILESO=C(NCc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C18H15BrN2O3S2/c19-16-10-11-17(25-16)26(23,24)21-15-9-5-4-8-14(15)18(22)20-12-13-6-2-1-3-7-13/h1-11,21H,12H2,(H,20,22)
InChIKeyHDNMDWMJAFRPCT-UHFFFAOYSA-N
XLogP4.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.37
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]benzamide?
The IUPAC name of N-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]benzamide (CID 1006877) is N-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]benzamide.
What is the SMILES notation for N-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]benzamide?
The canonical SMILES for N-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]benzamide is O=C(NCc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of N-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]benzamide?
The InChIKey is HDNMDWMJAFRPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O3S2/c19-16-10-11-17(25-16)26(23,24)21-15-9-5-4-8-14(15)18(22)20-12-13-6-2-1-3-7-13/h1-11,21H,12H2,(H,20,22).
What are the key properties of N-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]benzamide?
N-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]benzamide has a molecular weight of 451.37 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]benzamide is sourced from PubChem (CID 1006877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).