N-(2-chloro-4-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide

C15H14ClN3O3S — CID 46329419

IUPACN-(2-chloro-4-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3cc(C)[nH]n3)o2)c(Cl)c1
InChIInChI=1S/C15H14ClN3O3S/c1-9-3-4-12(11(16)7-9)19-23(20,21)15-6-5-14(22-15)13-8-10(2)17-18-13/h3-8,19H,1-2H3,(H,17,18)
InChIKeyWHUQTUNQKACAEE-UHFFFAOYSA-N
MW351.82 g/mol
LogP3.74
Rot. Bonds4

About N-(2-chloro-4-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide

N-(2-chloro-4-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide (PubChem CID 46329419) has the molecular formula C15H14ClN3O3S and a molecular weight of 351.82 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide
PubChem CID46329419
Molecular FormulaC15H14ClN3O3S
Molecular Weight351.82 g/mol
Exact Mass351.04
IUPAC NameN-(2-chloro-4-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3cc(C)[nH]n3)o2)c(Cl)c1
InChIInChI=1S/C15H14ClN3O3S/c1-9-3-4-12(11(16)7-9)19-23(20,21)15-6-5-14(22-15)13-8-10(2)17-18-13/h3-8,19H,1-2H3,(H,17,18)
InChIKeyWHUQTUNQKACAEE-UHFFFAOYSA-N
XLogP3.74
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.82
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide (CID 46329419) is N-(2-chloro-4-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(-c3cc(C)[nH]n3)o2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide?
The InChIKey is WHUQTUNQKACAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3S/c1-9-3-4-12(11(16)7-9)19-23(20,21)15-6-5-14(22-15)13-8-10(2)17-18-13/h3-8,19H,1-2H3,(H,17,18).
What are the key properties of N-(2-chloro-4-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide?
N-(2-chloro-4-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide has a molecular weight of 351.82 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide is sourced from PubChem (CID 46329419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).