N-[(5-chlorothiophen-2-yl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide

C19H16ClFN2O3S2 — CID 39432745

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H16ClFN2O3S2/c1-23(12-14-8-11-18(20)27-14)19(24)16-4-2-3-5-17(16)22-28(25,26)15-9-6-13(21)7-10-15/h2-11,22H,12H2,1H3
InChIKeyOEQYCVARLKOVRS-UHFFFAOYSA-N
MW438.93 g/mol
LogP4.61
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide

N-[(5-chlorothiophen-2-yl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide (PubChem CID 39432745) has the molecular formula C19H16ClFN2O3S2 and a molecular weight of 438.93 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide
PubChem CID39432745
Molecular FormulaC19H16ClFN2O3S2
Molecular Weight438.93 g/mol
Exact Mass438.03
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H16ClFN2O3S2/c1-23(12-14-8-11-18(20)27-14)19(24)16-4-2-3-5-17(16)22-28(25,26)15-9-6-13(21)7-10-15/h2-11,22H,12H2,1H3
InChIKeyOEQYCVARLKOVRS-UHFFFAOYSA-N
XLogP4.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.93
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide (CID 39432745) is N-[(5-chlorothiophen-2-yl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide is CN(Cc1ccc(Cl)s1)C(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide?
The InChIKey is OEQYCVARLKOVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O3S2/c1-23(12-14-8-11-18(20)27-14)19(24)16-4-2-3-5-17(16)22-28(25,26)15-9-6-13(21)7-10-15/h2-11,22H,12H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide has a molecular weight of 438.93 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide is sourced from PubChem (CID 39432745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).