5-[2-[(2-bromobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride

C13H11BrClNO3S2 — CID 43110433

IUPAC5-[2-[(2-bromobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride
SMILESO=C(NCCc1ccc(S(=O)(=O)Cl)s1)c1ccccc1Br
InChIInChI=1S/C13H11BrClNO3S2/c14-11-4-2-1-3-10(11)13(17)16-8-7-9-5-6-12(20-9)21(15,18)19/h1-6H,7-8H2,(H,16,17)
InChIKeyGEMBFJNIKBBRHX-UHFFFAOYSA-N
MW408.73 g/mol
LogP3.41
Rot. Bonds5

About 5-[2-[(2-bromobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride

5-[2-[(2-bromobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride (PubChem CID 43110433) has the molecular formula C13H11BrClNO3S2 and a molecular weight of 408.73 g/mol. Its IUPAC name is 5-[2-[(2-bromobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[2-[(2-bromobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride
PubChem CID43110433
Molecular FormulaC13H11BrClNO3S2
Molecular Weight408.73 g/mol
Exact Mass406.91
IUPAC Name5-[2-[(2-bromobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride
SMILESO=C(NCCc1ccc(S(=O)(=O)Cl)s1)c1ccccc1Br
InChIInChI=1S/C13H11BrClNO3S2/c14-11-4-2-1-3-10(11)13(17)16-8-7-9-5-6-12(20-9)21(15,18)19/h1-6H,7-8H2,(H,16,17)
InChIKeyGEMBFJNIKBBRHX-UHFFFAOYSA-N
XLogP3.41
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.73
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-[(2-iodobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride
CID 43095043
5-[2-(1H-pyrazole-5-carbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 63086454
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 43246441
5-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 24689033
3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-2-carboxamide
CID 107519551
5-[[(2-bromo-5-fluorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 43362991
2-bromo-N-(2-chloroethyl)benzamide
CID 12793324
5-[[(3-bromopyridine-2-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 107517313
2-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]benzamide;hydrochloride
CID 119945738
5-[2-(cyclohexanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 43098333
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-2-bromobenzamide
CID 53112446
5-[2-(2-ethylhexanoylamino)ethyl]thiophene-2-sulfonyl chloride
CID 43125512

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-bromobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[2-[(2-bromobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride (CID 43110433) is 5-[2-[(2-bromobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[2-[(2-bromobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[2-[(2-bromobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride is O=C(NCCc1ccc(S(=O)(=O)Cl)s1)c1ccccc1Br.
What is the InChIKey of 5-[2-[(2-bromobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride?
The InChIKey is GEMBFJNIKBBRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO3S2/c14-11-4-2-1-3-10(11)13(17)16-8-7-9-5-6-12(20-9)21(15,18)19/h1-6H,7-8H2,(H,16,17).
What are the key properties of 5-[2-[(2-bromobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride?
5-[2-[(2-bromobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride has a molecular weight of 408.73 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-bromobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 43110433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).