2-[(5-iodothiophene-3-carbonyl)amino]benzenesulfonyl fluoride

C11H7FINO3S2 — CID 116814222

IUPAC2-[(5-iodothiophene-3-carbonyl)amino]benzenesulfonyl fluoride
SMILESO=C(Nc1ccccc1S(=O)(=O)F)c1csc(I)c1
InChIInChI=1S/C11H7FINO3S2/c12-19(16,17)9-4-2-1-3-8(9)14-11(15)7-5-10(13)18-6-7/h1-6H,(H,14,15)
InChIKeyDMGVKKIPJXCMCE-UHFFFAOYSA-N
MW411.22 g/mol
LogP3.26
Rot. Bonds3

About 2-[(5-iodothiophene-3-carbonyl)amino]benzenesulfonyl fluoride

2-[(5-iodothiophene-3-carbonyl)amino]benzenesulfonyl fluoride (PubChem CID 116814222) has the molecular formula C11H7FINO3S2 and a molecular weight of 411.22 g/mol. Its IUPAC name is 2-[(5-iodothiophene-3-carbonyl)amino]benzenesulfonyl fluoride.

Molecular Properties

Compound Name2-[(5-iodothiophene-3-carbonyl)amino]benzenesulfonyl fluoride
PubChem CID116814222
Molecular FormulaC11H7FINO3S2
Molecular Weight411.22 g/mol
Exact Mass410.89
IUPAC Name2-[(5-iodothiophene-3-carbonyl)amino]benzenesulfonyl fluoride
SMILESO=C(Nc1ccccc1S(=O)(=O)F)c1csc(I)c1
InChIInChI=1S/C11H7FINO3S2/c12-19(16,17)9-4-2-1-3-8(9)14-11(15)7-5-10(13)18-6-7/h1-6H,(H,14,15)
InChIKeyDMGVKKIPJXCMCE-UHFFFAOYSA-N
XLogP3.26
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.22
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(3-bromo-5-methylbenzoyl)amino]benzenesulfonyl fluoride
CID 116814224
3-[2-[(5-iodothiophene-3-carbonyl)amino]phenyl]propanoic acid
CID 107272419
N-(2-fluoro-5-methylphenyl)-5-iodothiophene-3-carboxamide
CID 78948686
N-(4-bromo-2-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 78949454
N-(3-hydroxy-2,4-dimethylphenyl)-5-iodothiophene-3-carboxamide
CID 79692773
2-[(2,3-difluorobenzoyl)amino]benzenesulfonyl fluoride
CID 116814244
2-[(4-chloro-2-fluorobenzoyl)amino]benzenesulfonyl fluoride
CID 116813961
2-chloro-6-[(5-iodothiophene-3-carbonyl)amino]benzoic acid
CID 79685074
5-iodo-N-(2,4,6-trifluorophenyl)thiophene-3-carboxamide
CID 79046719
5-iodo-N-quinolin-8-ylthiophene-3-carboxamide
CID 78948742
2-[(5-fluoro-2-methylbenzoyl)amino]benzenesulfonyl fluoride
CID 116814212
2-[(2-hydroxy-4-methylbenzoyl)amino]benzenesulfonyl fluoride
CID 116813960

Frequently Asked Questions

What is the IUPAC name of 2-[(5-iodothiophene-3-carbonyl)amino]benzenesulfonyl fluoride?
The IUPAC name of 2-[(5-iodothiophene-3-carbonyl)amino]benzenesulfonyl fluoride (CID 116814222) is 2-[(5-iodothiophene-3-carbonyl)amino]benzenesulfonyl fluoride.
What is the SMILES notation for 2-[(5-iodothiophene-3-carbonyl)amino]benzenesulfonyl fluoride?
The canonical SMILES for 2-[(5-iodothiophene-3-carbonyl)amino]benzenesulfonyl fluoride is O=C(Nc1ccccc1S(=O)(=O)F)c1csc(I)c1.
What is the InChIKey of 2-[(5-iodothiophene-3-carbonyl)amino]benzenesulfonyl fluoride?
The InChIKey is DMGVKKIPJXCMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FINO3S2/c12-19(16,17)9-4-2-1-3-8(9)14-11(15)7-5-10(13)18-6-7/h1-6H,(H,14,15).
What are the key properties of 2-[(5-iodothiophene-3-carbonyl)amino]benzenesulfonyl fluoride?
2-[(5-iodothiophene-3-carbonyl)amino]benzenesulfonyl fluoride has a molecular weight of 411.22 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-iodothiophene-3-carbonyl)amino]benzenesulfonyl fluoride is sourced from PubChem (CID 116814222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).