2-bromo-5-(ethylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide

C13H17BrN2O2S3 — CID 106050019

IUPAC2-bromo-5-(ethylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCCc2ccsc2)c(Br)s1
InChIInChI=1S/C13H17BrN2O2S3/c1-2-15-8-11-7-12(13(14)20-11)21(17,18)16-5-3-10-4-6-19-9-10/h4,6-7,9,15-16H,2-3,5,8H2,1H3
InChIKeyMWZZSYBQKZSWQW-UHFFFAOYSA-N
MW409.40 g/mol
LogP3.20
Rot. Bonds8

About 2-bromo-5-(ethylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide

2-bromo-5-(ethylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide (PubChem CID 106050019) has the molecular formula C13H17BrN2O2S3 and a molecular weight of 409.40 g/mol. Its IUPAC name is 2-bromo-5-(ethylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(ethylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide
PubChem CID106050019
Molecular FormulaC13H17BrN2O2S3
Molecular Weight409.40 g/mol
Exact Mass407.96
IUPAC Name2-bromo-5-(ethylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCCc2ccsc2)c(Br)s1
InChIInChI=1S/C13H17BrN2O2S3/c1-2-15-8-11-7-12(13(14)20-11)21(17,18)16-5-3-10-4-6-19-9-10/h4,6-7,9,15-16H,2-3,5,8H2,1H3
InChIKeyMWZZSYBQKZSWQW-UHFFFAOYSA-N
XLogP3.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-(ethylaminomethyl)-N-(3-fluoropropyl)thiophene-3-sulfonamide
CID 114267253
2-methyl-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide
CID 106049842
2-bromo-5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-3-sulfonamide
CID 106055664
3-amino-5-bromo-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 114379338
2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide
CID 106080012
5-amino-4-bromo-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 114625464
3-bromo-4-(2-thiophen-3-ylethylsulfamoyl)benzoic acid
CID 61473152
2-bromo-5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
CID 106063014
2-bromo-5-(ethylaminomethyl)-N-[(1-methoxycyclobutyl)methyl]thiophene-3-sulfonamide
CID 106091004
2-chloro-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 106049907
2-bromo-5-(ethylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-3-sulfonamide
CID 106015443
5-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 61477775

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(ethylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-bromo-5-(ethylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide (CID 106050019) is 2-bromo-5-(ethylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(ethylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(ethylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide is CCNCc1cc(S(=O)(=O)NCCc2ccsc2)c(Br)s1.
What is the InChIKey of 2-bromo-5-(ethylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide?
The InChIKey is MWZZSYBQKZSWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2S3/c1-2-15-8-11-7-12(13(14)20-11)21(17,18)16-5-3-10-4-6-19-9-10/h4,6-7,9,15-16H,2-3,5,8H2,1H3.
What are the key properties of 2-bromo-5-(ethylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide?
2-bromo-5-(ethylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide has a molecular weight of 409.40 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(ethylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106050019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).