5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide

C12H12ClNO4S — CID 686051

IUPAC5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C12H12ClNO4S/c1-17-11-5-4-9(13)7-12(11)19(15,16)14-8-10-3-2-6-18-10/h2-7,14H,8H2,1H3
InChIKeyJOJLBFRCNLWGBU-UHFFFAOYSA-N
MW301.75 g/mol
LogP2.42
Rot. Bonds5

About 5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide

5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide (PubChem CID 686051) has the molecular formula C12H12ClNO4S and a molecular weight of 301.75 g/mol. Its IUPAC name is 5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
PubChem CID686051
Molecular FormulaC12H12ClNO4S
Molecular Weight301.75 g/mol
Exact Mass301.02
IUPAC Name5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C12H12ClNO4S/c1-17-11-5-4-9(13)7-12(11)19(15,16)14-8-10-3-2-6-18-10/h2-7,14H,8H2,1H3
InChIKeyJOJLBFRCNLWGBU-UHFFFAOYSA-N
XLogP2.42
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 839333
5-acetyl-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 39445497
2-amino-4-chloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 28555278
N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
5-chloro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-2-methoxybenzenesulfonamide
CID 113011418
5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 25045685
[2-(4-chlorophenyl)-2-oxoethyl] (E)-3-[3-(furan-2-ylmethylsulfamoyl)-4-methoxyphenyl]prop-2-enoate
CID 1191209
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 6493708
N-(5-chloro-2-methoxyphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 4793263
5-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide
CID 90612336
5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 3716409
5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide
CID 110672576

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide (CID 686051) is 5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCc1ccco1.
What is the InChIKey of 5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide?
The InChIKey is JOJLBFRCNLWGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO4S/c1-17-11-5-4-9(13)7-12(11)19(15,16)14-8-10-3-2-6-18-10/h2-7,14H,8H2,1H3.
What are the key properties of 5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide?
5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide has a molecular weight of 301.75 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 686051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).