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

C18H21N3O3S — CID 2742267

IUPACN-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzenesulfonamide
SMILESCc1oc(C(C)(C)C)cc1-c1cc(NS(=O)(=O)c2ccccc2)n[nH]1
InChIInChI=1S/C18H21N3O3S/c1-12-14(10-16(24-12)18(2,3)4)15-11-17(20-19-15)21-25(22,23)13-8-6-5-7-9-13/h5-11H,1-4H3,(H2,19,20,21)
InChIKeyWMPLATVPTPSHAZ-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.08
Rot. Bonds4

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

N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzenesulfonamide (PubChem CID 2742267) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzenesulfonamide
PubChem CID2742267
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzenesulfonamide
SMILESCc1oc(C(C)(C)C)cc1-c1cc(NS(=O)(=O)c2ccccc2)n[nH]1
InChIInChI=1S/C18H21N3O3S/c1-12-14(10-16(24-12)18(2,3)4)15-11-17(20-19-15)21-25(22,23)13-8-6-5-7-9-13/h5-11H,1-4H3,(H2,19,20,21)
InChIKeyWMPLATVPTPSHAZ-UHFFFAOYSA-N
XLogP4.08
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.08
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-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-(3,5-dimethylphenyl)pyrazol-5-yl]-3-fluorobenzenesulfonamide
CID 2742798
N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzamide
CID 2742261
N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]-4-chlorobenzenesulfonamide
CID 2742271
4-[5-Amino-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide
CID 2742753
5-(3,4-dimethyl-1H-pyrazol-5-yl)-N-(4-methoxyphenyl)furan-2-sulfonamide
CID 53075747
N-(5-butyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide
CID 126766267
N-[3-(difluoromethyl)-5-(2,5-dimethylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide
CID 67662491
3-(4-fluorophenyl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide
CID 143109343
4-[5-[2-(3-amino-4-cyano-1H-pyrazol-5-yl)-2-cyanoethenyl]furan-2-yl]benzenesulfonamide
CID 3726323
N-(3-fluoro-4-methylphenyl)-2-methyl-5-(3-methyl-1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163474
N-(4-fluoro-2-methylphenyl)-2-methyl-5-(3-methyl-1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163480

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzenesulfonamide (CID 2742267) is N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzenesulfonamide is Cc1oc(C(C)(C)C)cc1-c1cc(NS(=O)(=O)c2ccccc2)n[nH]1.
What is the InChIKey of N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzenesulfonamide?
The InChIKey is WMPLATVPTPSHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-12-14(10-16(24-12)18(2,3)4)15-11-17(20-19-15)21-25(22,23)13-8-6-5-7-9-13/h5-11H,1-4H3,(H2,19,20,21).
What are the key properties of N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzenesulfonamide?
N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzenesulfonamide has a molecular weight of 359.45 g/mol, XLogP of 4.08, 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]benzenesulfonamide is sourced from PubChem (CID 2742267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).