2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(3,5-dimethoxyphenyl)benzamide

C19H17ClN2O5S2 — CID 2360050

IUPAC2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(3,5-dimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)s2)cc(OC)c1
InChIInChI=1S/C19H17ClN2O5S2/c1-26-13-9-12(10-14(11-13)27-2)21-19(23)15-5-3-4-6-16(15)22-29(24,25)18-8-7-17(20)28-18/h3-11,22H,1-2H3,(H,21,23)
InChIKeyUTRKCNTUGGZRDV-UHFFFAOYSA-N
MW452.94 g/mol
LogP4.47
Rot. Bonds7

About 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(3,5-dimethoxyphenyl)benzamide

2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(3,5-dimethoxyphenyl)benzamide (PubChem CID 2360050) has the molecular formula C19H17ClN2O5S2 and a molecular weight of 452.94 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(3,5-dimethoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(3,5-dimethoxyphenyl)benzamide
PubChem CID2360050
Molecular FormulaC19H17ClN2O5S2
Molecular Weight452.94 g/mol
Exact Mass452.03
IUPAC Name2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(3,5-dimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)s2)cc(OC)c1
InChIInChI=1S/C19H17ClN2O5S2/c1-26-13-9-12(10-14(11-13)27-2)21-19(23)15-5-3-4-6-16(15)22-29(24,25)18-8-7-17(20)28-18/h3-11,22H,1-2H3,(H,21,23)
InChIKeyUTRKCNTUGGZRDV-UHFFFAOYSA-N
XLogP4.47
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.94
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(3,5-dimethoxyphenyl)benzamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(3,5-dimethoxyphenyl)benzamide (CID 2360050) is 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(3,5-dimethoxyphenyl)benzamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(3,5-dimethoxyphenyl)benzamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(3,5-dimethoxyphenyl)benzamide is COc1cc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)s2)cc(OC)c1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(3,5-dimethoxyphenyl)benzamide?
The InChIKey is UTRKCNTUGGZRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O5S2/c1-26-13-9-12(10-14(11-13)27-2)21-19(23)15-5-3-4-6-16(15)22-29(24,25)18-8-7-17(20)28-18/h3-11,22H,1-2H3,(H,21,23).
What are the key properties of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(3,5-dimethoxyphenyl)benzamide?
2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(3,5-dimethoxyphenyl)benzamide has a molecular weight of 452.94 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(3,5-dimethoxyphenyl)benzamide is sourced from PubChem (CID 2360050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).