4-chloro-2-(furan-2-ylmethylamino)-5-[(4-methoxyphenyl)methylsulfamoyl]benzoic acid

C20H19ClN2O6S — CID 155452009

IUPAC4-chloro-2-(furan-2-ylmethylamino)-5-[(4-methoxyphenyl)methylsulfamoyl]benzoic acid
SMILESCOc1ccc(CNS(=O)(=O)c2cc(C(=O)O)c(NCc3ccco3)cc2Cl)cc1
InChIInChI=1S/C20H19ClN2O6S/c1-28-14-6-4-13(5-7-14)11-23-30(26,27)19-9-16(20(24)25)18(10-17(19)21)22-12-15-3-2-8-29-15/h2-10,22-23H,11-12H2,1H3,(H,24,25)
InChIKeyIZDRZKFGEKFCAN-UHFFFAOYSA-N
MW450.90 g/mol
LogP3.73
Rot. Bonds9

About 4-chloro-2-(furan-2-ylmethylamino)-5-[(4-methoxyphenyl)methylsulfamoyl]benzoic acid

4-chloro-2-(furan-2-ylmethylamino)-5-[(4-methoxyphenyl)methylsulfamoyl]benzoic acid (PubChem CID 155452009) has the molecular formula C20H19ClN2O6S and a molecular weight of 450.90 g/mol. Its IUPAC name is 4-chloro-2-(furan-2-ylmethylamino)-5-[(4-methoxyphenyl)methylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-(furan-2-ylmethylamino)-5-[(4-methoxyphenyl)methylsulfamoyl]benzoic acid
PubChem CID155452009
Molecular FormulaC20H19ClN2O6S
Molecular Weight450.90 g/mol
Exact Mass450.07
IUPAC Name4-chloro-2-(furan-2-ylmethylamino)-5-[(4-methoxyphenyl)methylsulfamoyl]benzoic acid
SMILESCOc1ccc(CNS(=O)(=O)c2cc(C(=O)O)c(NCc3ccco3)cc2Cl)cc1
InChIInChI=1S/C20H19ClN2O6S/c1-28-14-6-4-13(5-7-14)11-23-30(26,27)19-9-16(20(24)25)18(10-17(19)21)22-12-15-3-2-8-29-15/h2-10,22-23H,11-12H2,1H3,(H,24,25)
InChIKeyIZDRZKFGEKFCAN-UHFFFAOYSA-N
XLogP3.73
TPSA117.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.90
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-chloro-2-(furan-2-ylmethylamino)-5-[(4-methoxyphenyl)methylsulfamoyl]benzoic acid with MolForge

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Related Compounds

CID 68522905
CID 68522905
2,4-dichloro-5-[(4-methoxyphenyl)methylsulfamoyl]benzoate
CID 2119292
methyl 5-(benzylamino)-4-chloro-2-(furan-2-ylmethylamino)benzoate
CID 71063330
4-chloro-2-(furan-2-ylmethylamino)-5-[[6-methyl-4-(methylamino)-5-oxoheptanoyl]sulfamoyl]benzoic acid
CID 148635458
2-methoxyethyl 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
CID 118302031
2-chloro-N-(furan-2-ylmethyl)-4-methoxyaniline
CID 115877187
3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide
CID 24536240
N-benzyl-2-chloro-5-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 24553911
potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate;hydrochloride
CID 138402493
5-(benzylsulfamoyl)-2-[2-(4-methoxyphenyl)ethylamino]benzoic acid
CID 99984297
4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid;(2S)-2,6-diaminohexanoic acid
CID 18649645
2-[2-(furan-2-yl)ethylamino]-4-methoxybenzoic acid
CID 81305282

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(furan-2-ylmethylamino)-5-[(4-methoxyphenyl)methylsulfamoyl]benzoic acid?
The IUPAC name of 4-chloro-2-(furan-2-ylmethylamino)-5-[(4-methoxyphenyl)methylsulfamoyl]benzoic acid (CID 155452009) is 4-chloro-2-(furan-2-ylmethylamino)-5-[(4-methoxyphenyl)methylsulfamoyl]benzoic acid.
What is the SMILES notation for 4-chloro-2-(furan-2-ylmethylamino)-5-[(4-methoxyphenyl)methylsulfamoyl]benzoic acid?
The canonical SMILES for 4-chloro-2-(furan-2-ylmethylamino)-5-[(4-methoxyphenyl)methylsulfamoyl]benzoic acid is COc1ccc(CNS(=O)(=O)c2cc(C(=O)O)c(NCc3ccco3)cc2Cl)cc1.
What is the InChIKey of 4-chloro-2-(furan-2-ylmethylamino)-5-[(4-methoxyphenyl)methylsulfamoyl]benzoic acid?
The InChIKey is IZDRZKFGEKFCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O6S/c1-28-14-6-4-13(5-7-14)11-23-30(26,27)19-9-16(20(24)25)18(10-17(19)21)22-12-15-3-2-8-29-15/h2-10,22-23H,11-12H2,1H3,(H,24,25).
What are the key properties of 4-chloro-2-(furan-2-ylmethylamino)-5-[(4-methoxyphenyl)methylsulfamoyl]benzoic acid?
4-chloro-2-(furan-2-ylmethylamino)-5-[(4-methoxyphenyl)methylsulfamoyl]benzoic acid has a molecular weight of 450.90 g/mol, XLogP of 3.73, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(furan-2-ylmethylamino)-5-[(4-methoxyphenyl)methylsulfamoyl]benzoic acid is sourced from PubChem (CID 155452009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).