2,5-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide

C17H14Cl2N2O3S — CID 30668532

IUPAC2,5-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N(Cc1cccnc1)Cc1ccco1
InChIInChI=1S/C17H14Cl2N2O3S/c18-14-5-6-16(19)17(9-14)25(22,23)21(12-15-4-2-8-24-15)11-13-3-1-7-20-10-13/h1-10H,11-12H2
InChIKeyXEBDKKPBQRPINN-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.37
Rot. Bonds6

About 2,5-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide

2,5-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 30668532) has the molecular formula C17H14Cl2N2O3S and a molecular weight of 397.28 g/mol. Its IUPAC name is 2,5-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID30668532
Molecular FormulaC17H14Cl2N2O3S
Molecular Weight397.28 g/mol
Exact Mass396.01
IUPAC Name2,5-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N(Cc1cccnc1)Cc1ccco1
InChIInChI=1S/C17H14Cl2N2O3S/c18-14-5-6-16(19)17(9-14)25(22,23)21(12-15-4-2-8-24-15)11-13-3-1-7-20-10-13/h1-10H,11-12H2
InChIKeyXEBDKKPBQRPINN-UHFFFAOYSA-N
XLogP4.37
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 25336701
4-chloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 30668612
2,5-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 121085011
5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 30668627
N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 30660804
2-(2,5-dichlorophenoxy)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 99182792
N-[furan-2-ylmethyl(pyridin-3-ylmethyl)sulfamoyl]-N-propylpropan-1-amine
CID 55627832
2-[(2,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoic acid
CID 50894753
4-chloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 99181571
N-benzyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 3572091
2-chloro-N-[(4-cyanophenyl)methyl]-N-(furan-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide
CID 30232442
2-chloro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084747

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 30668532) is 2,5-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide is O=S(=O)(c1cc(Cl)ccc1Cl)N(Cc1cccnc1)Cc1ccco1.
What is the InChIKey of 2,5-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is XEBDKKPBQRPINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O3S/c18-14-5-6-16(19)17(9-14)25(22,23)21(12-15-4-2-8-24-15)11-13-3-1-7-20-10-13/h1-10H,11-12H2.
What are the key properties of 2,5-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
2,5-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 397.28 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 30668532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).