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

C14H12ClN3O3S — CID 53163400

IUPACN-(3-chlorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
SMILESCc1oc(-c2ccn[nH]2)cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H12ClN3O3S/c1-9-14(8-13(21-9)12-5-6-16-17-12)22(19,20)18-11-4-2-3-10(15)7-11/h2-8,18H,1H3,(H,16,17)
InChIKeyRNZPNVIHWQZCNO-UHFFFAOYSA-N
MW337.79 g/mol
LogP3.43
Rot. Bonds4

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

N-(3-chlorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide (PubChem CID 53163400) has the molecular formula C14H12ClN3O3S and a molecular weight of 337.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
PubChem CID53163400
Molecular FormulaC14H12ClN3O3S
Molecular Weight337.79 g/mol
Exact Mass337.03
IUPAC NameN-(3-chlorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
SMILESCc1oc(-c2ccn[nH]2)cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H12ClN3O3S/c1-9-14(8-13(21-9)12-5-6-16-17-12)22(19,20)18-11-4-2-3-10(15)7-11/h2-8,18H,1H3,(H,16,17)
InChIKeyRNZPNVIHWQZCNO-UHFFFAOYSA-N
XLogP3.43
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.79
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
The IUPAC name of N-(3-chlorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide (CID 53163400) is N-(3-chlorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide is Cc1oc(-c2ccn[nH]2)cc1S(=O)(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
The InChIKey is RNZPNVIHWQZCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3S/c1-9-14(8-13(21-9)12-5-6-16-17-12)22(19,20)18-11-4-2-3-10(15)7-11/h2-8,18H,1H3,(H,16,17).
What are the key properties of N-(3-chlorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
N-(3-chlorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide has a molecular weight of 337.79 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide is sourced from PubChem (CID 53163400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).