5-[(pyridine-3-carbonylamino)methyl]thiophene-2-sulfonyl chloride

C11H9ClN2O3S2 — CID 43173405

IUPAC5-[(pyridine-3-carbonylamino)methyl]thiophene-2-sulfonyl chloride
SMILESO=C(NCc1ccc(S(=O)(=O)Cl)s1)c1cccnc1
InChIInChI=1S/C11H9ClN2O3S2/c12-19(16,17)10-4-3-9(18-10)7-14-11(15)8-2-1-5-13-6-8/h1-6H,7H2,(H,14,15)
InChIKeyYQBDGOXNFXWSLN-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.00
Rot. Bonds4

About 5-[(pyridine-3-carbonylamino)methyl]thiophene-2-sulfonyl chloride

5-[(pyridine-3-carbonylamino)methyl]thiophene-2-sulfonyl chloride (PubChem CID 43173405) has the molecular formula C11H9ClN2O3S2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 5-[(pyridine-3-carbonylamino)methyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[(pyridine-3-carbonylamino)methyl]thiophene-2-sulfonyl chloride
PubChem CID43173405
Molecular FormulaC11H9ClN2O3S2
Molecular Weight316.79 g/mol
Exact Mass315.97
IUPAC Name5-[(pyridine-3-carbonylamino)methyl]thiophene-2-sulfonyl chloride
SMILESO=C(NCc1ccc(S(=O)(=O)Cl)s1)c1cccnc1
InChIInChI=1S/C11H9ClN2O3S2/c12-19(16,17)10-4-3-9(18-10)7-14-11(15)8-2-1-5-13-6-8/h1-6H,7H2,(H,14,15)
InChIKeyYQBDGOXNFXWSLN-UHFFFAOYSA-N
XLogP2.00
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(3-bromopyridine-2-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 107517313
5-[[(4-bromobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 43363006
5-[[(4-fluorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 43363004
N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 86835946
5-[[(3-bromo-4-chlorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 107998188
5-[[(4-propan-2-ylthiadiazole-5-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 65204805
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
5-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 102801420
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 1087305
N-[(5-sulfamoylthiophen-2-yl)methyl]pyrazine-2-carboxamide
CID 47099016

Frequently Asked Questions

What is the IUPAC name of 5-[(pyridine-3-carbonylamino)methyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[(pyridine-3-carbonylamino)methyl]thiophene-2-sulfonyl chloride (CID 43173405) is 5-[(pyridine-3-carbonylamino)methyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[(pyridine-3-carbonylamino)methyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[(pyridine-3-carbonylamino)methyl]thiophene-2-sulfonyl chloride is O=C(NCc1ccc(S(=O)(=O)Cl)s1)c1cccnc1.
What is the InChIKey of 5-[(pyridine-3-carbonylamino)methyl]thiophene-2-sulfonyl chloride?
The InChIKey is YQBDGOXNFXWSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3S2/c12-19(16,17)10-4-3-9(18-10)7-14-11(15)8-2-1-5-13-6-8/h1-6H,7H2,(H,14,15).
What are the key properties of 5-[(pyridine-3-carbonylamino)methyl]thiophene-2-sulfonyl chloride?
5-[(pyridine-3-carbonylamino)methyl]thiophene-2-sulfonyl chloride has a molecular weight of 316.79 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(pyridine-3-carbonylamino)methyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 43173405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).