4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide

C17H13Cl2N3O3S2 — CID 2475991

IUPAC4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C17H13Cl2N3O3S2/c18-15-9-14(16(19)26-15)27(24,25)22-12-6-4-11(5-7-12)17(23)21-10-13-3-1-2-8-20-13/h1-9,22H,10H2,(H,21,23)
InChIKeyDWAFPWOZHVMCLA-UHFFFAOYSA-N
MW442.35 g/mol
LogP4.18
Rot. Bonds6

About 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide

4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 2475991) has the molecular formula C17H13Cl2N3O3S2 and a molecular weight of 442.35 g/mol. Its IUPAC name is 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID2475991
Molecular FormulaC17H13Cl2N3O3S2
Molecular Weight442.35 g/mol
Exact Mass440.98
IUPAC Name4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C17H13Cl2N3O3S2/c18-15-9-14(16(19)26-15)27(24,25)22-12-6-4-11(5-7-12)17(23)21-10-13-3-1-2-8-20-13/h1-9,22H,10H2,(H,21,23)
InChIKeyDWAFPWOZHVMCLA-UHFFFAOYSA-N
XLogP4.18
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.35
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 4969477
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 9414541
4-[(4-cyanophenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109060862
2,5-dichloro-N-(2-pyridin-2-ylethyl)thiophene-3-sulfonamide
CID 4657628
3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109064830
N-[(2-chlorophenyl)methyl]-4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-methylbenzamide
CID 2687844
4-N-(3,4-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047561
4-N-(3-chloro-4-methoxyphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047587
2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 63654634
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602
N-(4-acetylphenyl)-4-(pyridin-2-ylmethylamino)benzenesulfonamide
CID 58896333
4-(benzenesulfonamido)-N-[(5-chlorothiophen-2-yl)methyl]benzamide
CID 32831454

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide (CID 2475991) is 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide is O=C(NCc1ccccn1)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1.
What is the InChIKey of 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is DWAFPWOZHVMCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O3S2/c18-15-9-14(16(19)26-15)27(24,25)22-12-6-4-11(5-7-12)17(23)21-10-13-3-1-2-8-20-13/h1-9,22H,10H2,(H,21,23).
What are the key properties of 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide?
4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 442.35 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 2475991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).