4-[5-amino-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide

C18H22N4O3S — CID 2742753

IUPAC4-[5-amino-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1oc(C(C)(C)C)cc1-c1cc(N)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C18H22N4O3S/c1-11-14(9-16(25-11)18(2,3)4)15-10-17(19)22(21-15)12-5-7-13(8-6-12)26(20,23)24/h5-10H,19H2,1-4H3,(H2,20,23,24)
InChIKeyBRBLTFAAUFJYOF-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.97
Rot. Bonds3

About 4-[5-amino-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide

4-[5-amino-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 2742753) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 4-[5-amino-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-amino-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide
PubChem CID2742753
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name4-[5-amino-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1oc(C(C)(C)C)cc1-c1cc(N)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C18H22N4O3S/c1-11-14(9-16(25-11)18(2,3)4)15-10-17(19)22(21-15)12-5-7-13(8-6-12)26(20,23)24/h5-10H,19H2,1-4H3,(H2,20,23,24)
InChIKeyBRBLTFAAUFJYOF-UHFFFAOYSA-N
XLogP2.97
TPSA117.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-Tert-butyl-2-methylfuran-3-yl)-1-(2-ethyl-6-methylphenyl)pyrazol-5-amine
CID 44526652
1-[3,5-Bis(trifluoromethyl)phenyl]-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-5-amine
CID 2742754
N-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-(3,5-dimethylphenyl)pyrazol-5-yl]-3-fluorobenzenesulfonamide
CID 2742798
3-(5-Tert-butyl-2-methylfuran-3-yl)-1-(4-iodophenyl)pyrazol-5-amine
CID 2742755
N-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-(4-iodophenyl)pyrazol-5-yl]cyclobutanecarboxamide
CID 2742767
4-[3-(Difluoromethyl)-5-(2,5-dimethylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide
CID 22315523
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-5-(difluoromethyl)furan-2-sulfonamide
CID 167827040
3-(2-Methylfuran-3-yl)-1-(4-methylphenyl)pyrazol-5-amine
CID 16769859
3-(2-methylfuran-3-yl)-1-p-tolyl-1H-pyrazol-5-amine hydrochloric acid salt
CID 68540850
N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzenesulfonamide
CID 2742267
4-[5-[2-(5-Amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzenesulfonamide
CID 3444456
4-[5-[(Z)-2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzenesulfonamide
CID 5828198

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-amino-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide (CID 2742753) is 4-[5-amino-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-amino-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-amino-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide is Cc1oc(C(C)(C)C)cc1-c1cc(N)n(-c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-[5-amino-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is BRBLTFAAUFJYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-11-14(9-16(25-11)18(2,3)4)15-10-17(19)22(21-15)12-5-7-13(8-6-12)26(20,23)24/h5-10H,19H2,1-4H3,(H2,20,23,24).
What are the key properties of 4-[5-amino-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide?
4-[5-amino-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 374.47 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 2742753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).