N-(3-bromo-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C20H21BrN2O3S2 — CID 66906825

IUPACN-(3-bromo-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CCN1CCOCC1)c1sc2ccccc2c1Br
InChIInChI=1S/C20H21BrN2O3S2/c21-19-17-8-4-5-9-18(17)27-20(19)23(11-10-22-12-14-26-15-13-22)28(24,25)16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyMQZNJXAROISMSF-UHFFFAOYSA-N
MW481.44 g/mol
LogP4.19
Rot. Bonds6

About N-(3-bromo-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide

N-(3-bromo-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 66906825) has the molecular formula C20H21BrN2O3S2 and a molecular weight of 481.44 g/mol. Its IUPAC name is N-(3-bromo-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID66906825
Molecular FormulaC20H21BrN2O3S2
Molecular Weight481.44 g/mol
Exact Mass480.02
IUPAC NameN-(3-bromo-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CCN1CCOCC1)c1sc2ccccc2c1Br
InChIInChI=1S/C20H21BrN2O3S2/c21-19-17-8-4-5-9-18(17)27-20(19)23(11-10-22-12-14-26-15-13-22)28(24,25)16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyMQZNJXAROISMSF-UHFFFAOYSA-N
XLogP4.19
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of N-(3-bromo-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 66906825) is N-(3-bromo-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-bromo-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for N-(3-bromo-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide is O=S(=O)(c1ccccc1)N(CCN1CCOCC1)c1sc2ccccc2c1Br.
What is the InChIKey of N-(3-bromo-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is MQZNJXAROISMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O3S2/c21-19-17-8-4-5-9-18(17)27-20(19)23(11-10-22-12-14-26-15-13-22)28(24,25)16-6-2-1-3-7-16/h1-9H,10-15H2.
What are the key properties of N-(3-bromo-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
N-(3-bromo-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 481.44 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-1-benzothiophen-2-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 66906825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).