N-(2-benzylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide

C24H19ClN2O3S2 — CID 3677740

IUPACN-(2-benzylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide
SMILESO=C(Nc1ccccc1Cc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C24H19ClN2O3S2/c25-22-14-15-23(31-22)32(29,30)27-21-13-7-5-11-19(21)24(28)26-20-12-6-4-10-18(20)16-17-8-2-1-3-9-17/h1-15,27H,16H2,(H,26,28)
InChIKeyDRIXOSNRVOTWBM-UHFFFAOYSA-N
MW483.01 g/mol
LogP6.05
Rot. Bonds7

About N-(2-benzylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide

N-(2-benzylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide (PubChem CID 3677740) has the molecular formula C24H19ClN2O3S2 and a molecular weight of 483.01 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide
PubChem CID3677740
Molecular FormulaC24H19ClN2O3S2
Molecular Weight483.01 g/mol
Exact Mass482.05
IUPAC NameN-(2-benzylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide
SMILESO=C(Nc1ccccc1Cc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C24H19ClN2O3S2/c25-22-14-15-23(31-22)32(29,30)27-21-13-7-5-11-19(21)24(28)26-20-12-6-4-10-18(20)16-17-8-2-1-3-9-17/h1-15,27H,16H2,(H,26,28)
InChIKeyDRIXOSNRVOTWBM-UHFFFAOYSA-N
XLogP6.05
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.01
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide?
The IUPAC name of N-(2-benzylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide (CID 3677740) is N-(2-benzylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2-benzylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide?
The canonical SMILES for N-(2-benzylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide is O=C(Nc1ccccc1Cc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of N-(2-benzylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide?
The InChIKey is DRIXOSNRVOTWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O3S2/c25-22-14-15-23(31-22)32(29,30)27-21-13-7-5-11-19(21)24(28)26-20-12-6-4-10-18(20)16-17-8-2-1-3-9-17/h1-15,27H,16H2,(H,26,28).
What are the key properties of N-(2-benzylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide?
N-(2-benzylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide has a molecular weight of 483.01 g/mol, XLogP of 6.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide is sourced from PubChem (CID 3677740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).