N-[(5-bromothiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide

C16H17BrN2O4S2 — CID 32775606

IUPACN-[(5-bromothiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCc1ccc(Br)s1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H17BrN2O4S2/c17-15-5-4-13(24-15)11-18-16(20)12-2-1-3-14(10-12)25(21,22)19-6-8-23-9-7-19/h1-5,10H,6-9,11H2,(H,18,20)
InChIKeyMLQPRFFWSIGHRM-UHFFFAOYSA-N
MW445.36 g/mol
LogP2.46
Rot. Bonds5

About N-[(5-bromothiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide

N-[(5-bromothiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 32775606) has the molecular formula C16H17BrN2O4S2 and a molecular weight of 445.36 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID32775606
Molecular FormulaC16H17BrN2O4S2
Molecular Weight445.36 g/mol
Exact Mass443.98
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCc1ccc(Br)s1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H17BrN2O4S2/c17-15-5-4-13(24-15)11-18-16(20)12-2-1-3-14(10-12)25(21,22)19-6-8-23-9-7-19/h1-5,10H,6-9,11H2,(H,18,20)
InChIKeyMLQPRFFWSIGHRM-UHFFFAOYSA-N
XLogP2.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide (CID 32775606) is N-[(5-bromothiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide is O=C(NCc1ccc(Br)s1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is MLQPRFFWSIGHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O4S2/c17-15-5-4-13(24-15)11-18-16(20)12-2-1-3-14(10-12)25(21,22)19-6-8-23-9-7-19/h1-5,10H,6-9,11H2,(H,18,20).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide?
N-[(5-bromothiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 445.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 32775606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).