3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzenesulfonamide

C18H17ClN2O5S2 — CID 55880160

IUPAC3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)cc1Cl
InChIInChI=1S/C18H17ClN2O5S2/c1-13-7-8-17(11-18(13)19)28(24,25)21-14-4-2-6-16(10-14)27(22,23)20-12-15-5-3-9-26-15/h2-11,20-21H,12H2,1H3
InChIKeyFEGKEEPRTIIDLA-UHFFFAOYSA-N
MW440.93 g/mol
LogP3.52
Rot. Bonds7

About 3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzenesulfonamide

3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 55880160) has the molecular formula C18H17ClN2O5S2 and a molecular weight of 440.93 g/mol. Its IUPAC name is 3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzenesulfonamide
PubChem CID55880160
Molecular FormulaC18H17ClN2O5S2
Molecular Weight440.93 g/mol
Exact Mass440.03
IUPAC Name3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)cc1Cl
InChIInChI=1S/C18H17ClN2O5S2/c1-13-7-8-17(11-18(13)19)28(24,25)21-14-4-2-6-16(10-14)27(22,23)20-12-15-5-3-9-26-15/h2-11,20-21H,12H2,1H3
InChIKeyFEGKEEPRTIIDLA-UHFFFAOYSA-N
XLogP3.52
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 738690
3-chloro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107091317
3-(2-chloro-4-nitroanilino)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 9332174
2-(3,4-dichlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 34858380
N-(furan-2-ylmethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 51160479
3-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide
CID 43688507
N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 6458669
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-methylthiophene-2-carboxamide
CID 35562907
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-5-sulfonamide
CID 47092091
3-(furan-2-ylmethylsulfamoyl)benzoic acid
CID 972732
5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 839333
3-(2-chlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 35559497

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzenesulfonamide (CID 55880160) is 3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)cc1Cl.
What is the InChIKey of 3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is FEGKEEPRTIIDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O5S2/c1-13-7-8-17(11-18(13)19)28(24,25)21-14-4-2-6-16(10-14)27(22,23)20-12-15-5-3-9-26-15/h2-11,20-21H,12H2,1H3.
What are the key properties of 3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzenesulfonamide?
3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 440.93 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 55880160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).