5-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide

C18H19ClN4O5S — CID 53183202

IUPAC5-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N(C)C)oc2C)cc1Cl
InChIInChI=1S/C18H19ClN4O5S/c1-10-16(29(25,26)22-11-5-6-14(27-4)13(19)7-11)8-15(28-10)17-12(9-20-21-17)18(24)23(2)3/h5-9,22H,1-4H3,(H,20,21)
InChIKeyZJKQMNSANNYLAZ-UHFFFAOYSA-N
MW438.89 g/mol
LogP3.14
Rot. Bonds6

About 5-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide

5-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 53183202) has the molecular formula C18H19ClN4O5S and a molecular weight of 438.89 g/mol. Its IUPAC name is 5-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID53183202
Molecular FormulaC18H19ClN4O5S
Molecular Weight438.89 g/mol
Exact Mass438.08
IUPAC Name5-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N(C)C)oc2C)cc1Cl
InChIInChI=1S/C18H19ClN4O5S/c1-10-16(29(25,26)22-11-5-6-14(27-4)13(19)7-11)8-15(28-10)17-12(9-20-21-17)18(24)23(2)3/h5-9,22H,1-4H3,(H,20,21)
InChIKeyZJKQMNSANNYLAZ-UHFFFAOYSA-N
XLogP3.14
TPSA117.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.89
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-[(3-chloro-4-methoxyphenyl)sulfamoyl]furan-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 53183028
5-[4-[(3,5-difluorophenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 53183245
N-(3,4-dimethoxyphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163395
5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-sulfonamide
CID 106048012
2-methyl-N-(4-methylphenyl)-5-[4-(piperidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183128
methyl 2-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 8523413
3-[(3-chloro-4-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235749
methyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 26487204
3-chloro-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691520
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
2,5-dichloro-N-(1H-indazol-6-yl)-4-methoxybenzenesulfonamide
CID 2242342
N-(2,3-dimethylphenyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183070

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide (CID 53183202) is 5-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide is COc1ccc(NS(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N(C)C)oc2C)cc1Cl.
What is the InChIKey of 5-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is ZJKQMNSANNYLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O5S/c1-10-16(29(25,26)22-11-5-6-14(27-4)13(19)7-11)8-15(28-10)17-12(9-20-21-17)18(24)23(2)3/h5-9,22H,1-4H3,(H,20,21).
What are the key properties of 5-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
5-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 438.89 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 53183202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).