N-(2-methoxy-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide

C16H17N3O4S — CID 53163434

IUPACN-(2-methoxy-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1cc(-c2ccn[nH]2)oc1C
InChIInChI=1S/C16H17N3O4S/c1-10-4-5-14(22-3)13(8-10)19-24(20,21)16-9-15(23-11(16)2)12-6-7-17-18-12/h4-9,19H,1-3H3,(H,17,18)
InChIKeySAPSVCRMIFENPM-UHFFFAOYSA-N
MW347.40 g/mol
LogP3.10
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide

N-(2-methoxy-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide (PubChem CID 53163434) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
PubChem CID53163434
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1cc(-c2ccn[nH]2)oc1C
InChIInChI=1S/C16H17N3O4S/c1-10-4-5-14(22-3)13(8-10)19-24(20,21)16-9-15(23-11(16)2)12-6-7-17-18-12/h4-9,19H,1-3H3,(H,17,18)
InChIKeySAPSVCRMIFENPM-UHFFFAOYSA-N
XLogP3.10
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluoro-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163440
N-(3,4-dimethoxyphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163395
N-(5-chloro-2-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163402
N-(3-chloro-2-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163413
N-(2-methoxy-5-methylphenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 53130905
N-(3,4-difluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163430
N-(3-fluoro-4-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163425
N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 5310306
methyl 2-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoate
CID 7939248
N-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-sulfonamide
CID 102691501
5-bromo-2-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 56684268
(2-methoxy-5-methylphenyl)sulfamic acid
CID 11844868

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide (CID 53163434) is N-(2-methoxy-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide is COc1ccc(C)cc1NS(=O)(=O)c1cc(-c2ccn[nH]2)oc1C.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
The InChIKey is SAPSVCRMIFENPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-10-4-5-14(22-3)13(8-10)19-24(20,21)16-9-15(23-11(16)2)12-6-7-17-18-12/h4-9,19H,1-3H3,(H,17,18).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
N-(2-methoxy-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide has a molecular weight of 347.40 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide is sourced from PubChem (CID 53163434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).