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

C19H16ClNO4S — CID 46664615

IUPAC3-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H16ClNO4S/c1-13-16(20)8-5-9-17(13)21-19(22)18-14(10-11-25-18)12-26(23,24)15-6-3-2-4-7-15/h2-11H,12H2,1H3,(H,21,22)
InChIKeyJQRJTQHBIIMUSR-UHFFFAOYSA-N
MW389.86 g/mol
LogP4.47
Rot. Bonds5

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

3-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide (PubChem CID 46664615) has the molecular formula C19H16ClNO4S and a molecular weight of 389.86 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
PubChem CID46664615
Molecular FormulaC19H16ClNO4S
Molecular Weight389.86 g/mol
Exact Mass389.05
IUPAC Name3-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H16ClNO4S/c1-13-16(20)8-5-9-17(13)21-19(22)18-14(10-11-25-18)12-26(23,24)15-6-3-2-4-7-15/h2-11H,12H2,1H3,(H,21,22)
InChIKeyJQRJTQHBIIMUSR-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

methyl 3-[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-methylbenzoate
CID 30804496
5-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 26584463
3-(benzenesulfonylmethyl)-N-(4-fluorophenyl)furan-2-carboxamide
CID 34978340
3-(benzenesulfonylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 37018546
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 46664518
ethyl 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 35726189
3-(benzenesulfonylmethyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 55532959
3-(benzenesulfonylmethyl)-N-butylfuran-2-carboxamide
CID 36711218
3-(benzenesulfonylmethyl)-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide
CID 86923783
3-(benzenesulfonylmethyl)-N-(4-methylcyclohexyl)furan-2-carboxamide
CID 51283733
3-(benzenesulfonylmethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 46692750
3-(benzenesulfonylmethyl)-N-cyclooctylfuran-2-carboxamide
CID 51283677

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide (CID 46664615) is 3-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide is Cc1c(Cl)cccc1NC(=O)c1occc1CS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide?
The InChIKey is JQRJTQHBIIMUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4S/c1-13-16(20)8-5-9-17(13)21-19(22)18-14(10-11-25-18)12-26(23,24)15-6-3-2-4-7-15/h2-11H,12H2,1H3,(H,21,22).
What are the key properties of 3-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide?
3-(benzenesulfonylmethyl)-N-(3-chloro-2-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 3-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 46664615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).