N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]-4-chlorobenzenesulfonamide

C18H20ClN3O3S — CID 2742271

IUPACN-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]-4-chlorobenzenesulfonamide
SMILESCc1oc(C(C)(C)C)cc1-c1cc(NS(=O)(=O)c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C18H20ClN3O3S/c1-11-14(9-16(25-11)18(2,3)4)15-10-17(21-20-15)22-26(23,24)13-7-5-12(19)6-8-13/h5-10H,1-4H3,(H2,20,21,22)
InChIKeyXFULAYKHYXAAID-UHFFFAOYSA-N
MW393.90 g/mol
LogP4.73
Rot. Bonds4

About N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]-4-chlorobenzenesulfonamide

N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]-4-chlorobenzenesulfonamide (PubChem CID 2742271) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]-4-chlorobenzenesulfonamide
PubChem CID2742271
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC NameN-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]-4-chlorobenzenesulfonamide
SMILESCc1oc(C(C)(C)C)cc1-c1cc(NS(=O)(=O)c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C18H20ClN3O3S/c1-11-14(9-16(25-11)18(2,3)4)15-10-17(21-20-15)22-26(23,24)13-7-5-12(19)6-8-13/h5-10H,1-4H3,(H2,20,21,22)
InChIKeyXFULAYKHYXAAID-UHFFFAOYSA-N
XLogP4.73
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-5-yl]thiophene-2-sulfonamide
CID 2742278
N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzenesulfonamide
CID 2742267
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 9362162
4-(2-chlorophenyl)-5-(2,5-dimethylfuran-3-yl)-1H-pyrazol-3-amine
CID 61784928
4-(3-chlorophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine
CID 65153045
4-(4-chlorophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine
CID 65153095
4-(2-chlorophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine
CID 65153388
3-acetyl-N-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide
CID 122150995

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]-4-chlorobenzenesulfonamide (CID 2742271) is N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]-4-chlorobenzenesulfonamide is Cc1oc(C(C)(C)C)cc1-c1cc(NS(=O)(=O)c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]-4-chlorobenzenesulfonamide?
The InChIKey is XFULAYKHYXAAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-11-14(9-16(25-11)18(2,3)4)15-10-17(21-20-15)22-26(23,24)13-7-5-12(19)6-8-13/h5-10H,1-4H3,(H2,20,21,22).
What are the key properties of N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]-4-chlorobenzenesulfonamide?
N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]-4-chlorobenzenesulfonamide has a molecular weight of 393.90 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 2742271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).