N-(3-bromo-1-benzothiophen-2-yl)-N-(cyclopropylmethyl)ethanesulfonamide

C14H16BrNO2S2 — CID 66906698

IUPACN-(3-bromo-1-benzothiophen-2-yl)-N-(cyclopropylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CC1CC1)c1sc2ccccc2c1Br
InChIInChI=1S/C14H16BrNO2S2/c1-2-20(17,18)16(9-10-7-8-10)14-13(15)11-5-3-4-6-12(11)19-14/h3-6,10H,2,7-9H2,1H3
InChIKeyMLCFQAFQBUWRHH-UHFFFAOYSA-N
MW374.33 g/mol
LogP4.23
Rot. Bonds5

About N-(3-bromo-1-benzothiophen-2-yl)-N-(cyclopropylmethyl)ethanesulfonamide

N-(3-bromo-1-benzothiophen-2-yl)-N-(cyclopropylmethyl)ethanesulfonamide (PubChem CID 66906698) has the molecular formula C14H16BrNO2S2 and a molecular weight of 374.33 g/mol. Its IUPAC name is N-(3-bromo-1-benzothiophen-2-yl)-N-(cyclopropylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-1-benzothiophen-2-yl)-N-(cyclopropylmethyl)ethanesulfonamide
PubChem CID66906698
Molecular FormulaC14H16BrNO2S2
Molecular Weight374.33 g/mol
Exact Mass372.98
IUPAC NameN-(3-bromo-1-benzothiophen-2-yl)-N-(cyclopropylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CC1CC1)c1sc2ccccc2c1Br
InChIInChI=1S/C14H16BrNO2S2/c1-2-20(17,18)16(9-10-7-8-10)14-13(15)11-5-3-4-6-12(11)19-14/h3-6,10H,2,7-9H2,1H3
InChIKeyMLCFQAFQBUWRHH-UHFFFAOYSA-N
XLogP4.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.33
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-1-benzothiophen-2-yl)-N-(cyclopropylmethyl)ethanesulfonamide?
The IUPAC name of N-(3-bromo-1-benzothiophen-2-yl)-N-(cyclopropylmethyl)ethanesulfonamide (CID 66906698) is N-(3-bromo-1-benzothiophen-2-yl)-N-(cyclopropylmethyl)ethanesulfonamide.
What is the SMILES notation for N-(3-bromo-1-benzothiophen-2-yl)-N-(cyclopropylmethyl)ethanesulfonamide?
The canonical SMILES for N-(3-bromo-1-benzothiophen-2-yl)-N-(cyclopropylmethyl)ethanesulfonamide is CCS(=O)(=O)N(CC1CC1)c1sc2ccccc2c1Br.
What is the InChIKey of N-(3-bromo-1-benzothiophen-2-yl)-N-(cyclopropylmethyl)ethanesulfonamide?
The InChIKey is MLCFQAFQBUWRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2S2/c1-2-20(17,18)16(9-10-7-8-10)14-13(15)11-5-3-4-6-12(11)19-14/h3-6,10H,2,7-9H2,1H3.
What are the key properties of N-(3-bromo-1-benzothiophen-2-yl)-N-(cyclopropylmethyl)ethanesulfonamide?
N-(3-bromo-1-benzothiophen-2-yl)-N-(cyclopropylmethyl)ethanesulfonamide has a molecular weight of 374.33 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-1-benzothiophen-2-yl)-N-(cyclopropylmethyl)ethanesulfonamide is sourced from PubChem (CID 66906698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).