5-(benzenesulfonylmethyl)-N-(3-chloro-4-methylphenyl)furan-2-carboxamide

C19H16ClNO4S — CID 26579656

IUPAC5-(benzenesulfonylmethyl)-N-(3-chloro-4-methylphenyl)furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1Cl
InChIInChI=1S/C19H16ClNO4S/c1-13-7-8-14(11-17(13)20)21-19(22)18-10-9-15(25-18)12-26(23,24)16-5-3-2-4-6-16/h2-11H,12H2,1H3,(H,21,22)
InChIKeyMWCJNGDYZRAJJE-UHFFFAOYSA-N
MW389.86 g/mol
LogP4.47
Rot. Bonds5

About 5-(benzenesulfonylmethyl)-N-(3-chloro-4-methylphenyl)furan-2-carboxamide

5-(benzenesulfonylmethyl)-N-(3-chloro-4-methylphenyl)furan-2-carboxamide (PubChem CID 26579656) has the molecular formula C19H16ClNO4S and a molecular weight of 389.86 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-(3-chloro-4-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-(3-chloro-4-methylphenyl)furan-2-carboxamide
PubChem CID26579656
Molecular FormulaC19H16ClNO4S
Molecular Weight389.86 g/mol
Exact Mass389.05
IUPAC Name5-(benzenesulfonylmethyl)-N-(3-chloro-4-methylphenyl)furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1Cl
InChIInChI=1S/C19H16ClNO4S/c1-13-7-8-14(11-17(13)20)21-19(22)18-10-9-15(25-18)12-26(23,24)16-5-3-2-4-6-16/h2-11H,12H2,1H3,(H,21,22)
InChIKeyMWCJNGDYZRAJJE-UHFFFAOYSA-N
XLogP4.47
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(benzenesulfonylmethyl)-N-(2-methylphenyl)furan-2-carboxamide
CID 27167042
5-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 26584463
5-(benzenesulfonylmethyl)-N-[3-(methoxymethyl)phenyl]furan-2-carboxamide
CID 32638148
5-(benzenesulfonylmethyl)-N-(5-fluoro-2-methylphenyl)furan-2-carboxamide
CID 26696587
5-(benzenesulfonylmethyl)-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 55488951
5-(benzenesulfonylmethyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]furan-2-carboxamide
CID 26520481
3-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)propanamide
CID 17310097
5-(benzenesulfonylmethyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]furan-2-carboxamide
CID 55807041
5-(benzenesulfonylmethyl)-N-(2-ethoxyphenyl)furan-2-carboxamide
CID 26736329
5-(benzenesulfonylmethyl)-N-(1,1-diphenylethyl)furan-2-carboxamide
CID 56522776
N-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19454983
5-(benzenesulfonylmethyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 46807132

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-(3-chloro-4-methylphenyl)furan-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-(3-chloro-4-methylphenyl)furan-2-carboxamide (CID 26579656) is 5-(benzenesulfonylmethyl)-N-(3-chloro-4-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-(3-chloro-4-methylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-(3-chloro-4-methylphenyl)furan-2-carboxamide is Cc1ccc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1Cl.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-(3-chloro-4-methylphenyl)furan-2-carboxamide?
The InChIKey is MWCJNGDYZRAJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4S/c1-13-7-8-14(11-17(13)20)21-19(22)18-10-9-15(25-18)12-26(23,24)16-5-3-2-4-6-16/h2-11H,12H2,1H3,(H,21,22).
What are the key properties of 5-(benzenesulfonylmethyl)-N-(3-chloro-4-methylphenyl)furan-2-carboxamide?
5-(benzenesulfonylmethyl)-N-(3-chloro-4-methylphenyl)furan-2-carboxamide has a molecular weight of 389.86 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-N-(3-chloro-4-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 26579656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).