N-[(2-chlorophenyl)methyl]-4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-methylbenzamide

C19H15Cl3N2O3S2 — CID 2687844

IUPACN-[(2-chlorophenyl)methyl]-4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-methylbenzamide
SMILESCN(Cc1ccccc1Cl)C(=O)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C19H15Cl3N2O3S2/c1-24(11-13-4-2-3-5-15(13)20)19(25)12-6-8-14(9-7-12)23-29(26,27)16-10-17(21)28-18(16)22/h2-10,23H,11H2,1H3
InChIKeyLKRXUKVZUCUIMI-UHFFFAOYSA-N
MW489.83 g/mol
LogP5.78
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-methylbenzamide

N-[(2-chlorophenyl)methyl]-4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-methylbenzamide (PubChem CID 2687844) has the molecular formula C19H15Cl3N2O3S2 and a molecular weight of 489.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-methylbenzamide
PubChem CID2687844
Molecular FormulaC19H15Cl3N2O3S2
Molecular Weight489.83 g/mol
Exact Mass487.96
IUPAC NameN-[(2-chlorophenyl)methyl]-4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-methylbenzamide
SMILESCN(Cc1ccccc1Cl)C(=O)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C19H15Cl3N2O3S2/c1-24(11-13-4-2-3-5-15(13)20)19(25)12-6-8-14(9-7-12)23-29(26,27)16-10-17(21)28-18(16)22/h2-10,23H,11H2,1H3
InChIKeyLKRXUKVZUCUIMI-UHFFFAOYSA-N
XLogP5.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.83
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-methylbenzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-methylbenzamide (CID 2687844) is N-[(2-chlorophenyl)methyl]-4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-methylbenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-methylbenzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-methylbenzamide is CN(Cc1ccccc1Cl)C(=O)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-methylbenzamide?
The InChIKey is LKRXUKVZUCUIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl3N2O3S2/c1-24(11-13-4-2-3-5-15(13)20)19(25)12-6-8-14(9-7-12)23-29(26,27)16-10-17(21)28-18(16)22/h2-10,23H,11H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-methylbenzamide?
N-[(2-chlorophenyl)methyl]-4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-methylbenzamide has a molecular weight of 489.83 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-methylbenzamide is sourced from PubChem (CID 2687844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).