N-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide;N-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide;N-(4-pyridin-2-yl-1H-pyrazol-5-yl)benzenesulfonamide;N-(4-pyridin-3-yl-1H-pyrazol-5-yl)benzenesulfonamide;N-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide

C72H62FN19O10S5 — CID 173322450

IUPACN-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide;N-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide;N-(4-pyridin-2-yl-1H-pyrazol-5-yl)benzenesulfonamide;N-(4-pyridin-3-yl-1H-pyrazol-5-yl)benzenesulfonamide;N-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESNc1ccc(-c2cn[nH]c2NS(=O)(=O)c2ccccc2)cc1.O=S(=O)(Nc1[nH]ncc1-c1cccc(F)c1)c1ccccc1.O=S(=O)(Nc1[nH]ncc1-c1ccccn1)c1ccccc1.O=S(=O)(Nc1[nH]ncc1-c1cccnc1)c1ccccc1.O=S(=O)(Nc1[nH]ncc1-c1ccncc1)c1ccccc1
InChIInChI=1S/C15H12FN3O2S.C15H14N4O2S.3C14H12N4O2S/c16-12-6-4-5-11(9-12)14-10-17-18-15(14)19-22(20,21)13-7-2-1-3-8-13;16-12-8-6-11(7-9-12)14-10-17-18-15(14)19-22(20,21)13-4-2-1-3-5-13;19-21(20,12-6-2-1-3-7-12)18-14-13(10-16-17-14)11-5-4-8-15-9-11;19-21(20,11-6-2-1-3-7-11)18-14-12(10-16-17-14)13-8-4-5-9-15-13;19-21(20,12-4-2-1-3-5-12)18-14-13(10-16-17-14)11-6-8-15-9-7-11/h1-10H,(H2,17,18,19);1-10H,16H2,(H2,17,18,19);3*1-10H,(H2,16,17,18)
InChIKeyVXBDCLLXUJMYLL-UHFFFAOYSA-N
MW1532.74 g/mol
LogP12.29
Rot. Bonds20

About N-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide;N-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide;N-(4-pyridin-2-yl-1H-pyrazol-5-yl)benzenesulfonamide;N-(4-pyridin-3-yl-1H-pyrazol-5-yl)benzenesulfonamide;N-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide

N-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide;N-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide;N-(4-pyridin-2-yl-1H-pyrazol-5-yl)benzenesulfonamide;N-(4-pyridin-3-yl-1H-pyrazol-5-yl)benzenesulfonamide;N-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 173322450) has the molecular formula C72H62FN19O10S5 and a molecular weight of 1532.74 g/mol. Its IUPAC name is N-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide;N-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide;N-(4-pyridin-2-yl-1H-pyrazol-5-yl)benzenesulfonamide;N-(4-pyridin-3-yl-1H-pyrazol-5-yl)benzenesulfonamide;N-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide;N-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide;N-(4-pyridin-2-yl-1H-pyrazol-5-yl)benzenesulfonamide;N-(4-pyridin-3-yl-1H-pyrazol-5-yl)benzenesulfonamide;N-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID173322450
Molecular FormulaC72H62FN19O10S5
Molecular Weight1532.74 g/mol
Exact Mass1531.35
IUPAC NameN-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide;N-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide;N-(4-pyridin-2-yl-1H-pyrazol-5-yl)benzenesulfonamide;N-(4-pyridin-3-yl-1H-pyrazol-5-yl)benzenesulfonamide;N-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESNc1ccc(-c2cn[nH]c2NS(=O)(=O)c2ccccc2)cc1.O=S(=O)(Nc1[nH]ncc1-c1cccc(F)c1)c1ccccc1.O=S(=O)(Nc1[nH]ncc1-c1ccccn1)c1ccccc1.O=S(=O)(Nc1[nH]ncc1-c1cccnc1)c1ccccc1.O=S(=O)(Nc1[nH]ncc1-c1ccncc1)c1ccccc1
InChIInChI=1S/C15H12FN3O2S.C15H14N4O2S.3C14H12N4O2S/c16-12-6-4-5-11(9-12)14-10-17-18-15(14)19-22(20,21)13-7-2-1-3-8-13;16-12-8-6-11(7-9-12)14-10-17-18-15(14)19-22(20,21)13-4-2-1-3-5-13;19-21(20,12-6-2-1-3-7-12)18-14-13(10-16-17-14)11-5-4-8-15-9-11;19-21(20,11-6-2-1-3-7-11)18-14-12(10-16-17-14)13-8-4-5-9-15-13;19-21(20,12-4-2-1-3-5-12)18-14-13(10-16-17-14)11-6-8-15-9-7-11/h1-10H,(H2,17,18,19);1-10H,16H2,(H2,17,18,19);3*1-10H,(H2,16,17,18)
InChIKeyVXBDCLLXUJMYLL-UHFFFAOYSA-N
XLogP12.29
TPSA438.94 Ų
H-Bond Donors11
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001532.74
LogP ≤ 512.29
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide;N-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide;N-(4-pyridin-2-yl-1H-pyrazol-5-yl)benzenesulfonamide;N-(4-pyridin-3-yl-1H-pyrazol-5-yl)benzenesulfonamide;N-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of N-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide;N-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide;N-(4-pyridin-2-yl-1H-pyrazol-5-yl)benzenesulfonamide;N-(4-pyridin-3-yl-1H-pyrazol-5-yl)benzenesulfonamide;N-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide (CID 173322450) is N-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide;N-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide;N-(4-pyridin-2-yl-1H-pyrazol-5-yl)benzenesulfonamide;N-(4-pyridin-3-yl-1H-pyrazol-5-yl)benzenesulfonamide;N-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide;N-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide;N-(4-pyridin-2-yl-1H-pyrazol-5-yl)benzenesulfonamide;N-(4-pyridin-3-yl-1H-pyrazol-5-yl)benzenesulfonamide;N-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide;N-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide;N-(4-pyridin-2-yl-1H-pyrazol-5-yl)benzenesulfonamide;N-(4-pyridin-3-yl-1H-pyrazol-5-yl)benzenesulfonamide;N-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide is Nc1ccc(-c2cn[nH]c2NS(=O)(=O)c2ccccc2)cc1.O=S(=O)(Nc1[nH]ncc1-c1cccc(F)c1)c1ccccc1.O=S(=O)(Nc1[nH]ncc1-c1ccccn1)c1ccccc1.O=S(=O)(Nc1[nH]ncc1-c1cccnc1)c1ccccc1.O=S(=O)(Nc1[nH]ncc1-c1ccncc1)c1ccccc1.
What is the InChIKey of N-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide;N-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide;N-(4-pyridin-2-yl-1H-pyrazol-5-yl)benzenesulfonamide;N-(4-pyridin-3-yl-1H-pyrazol-5-yl)benzenesulfonamide;N-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is VXBDCLLXUJMYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S.C15H14N4O2S.3C14H12N4O2S/c16-12-6-4-5-11(9-12)14-10-17-18-15(14)19-22(20,21)13-7-2-1-3-8-13;16-12-8-6-11(7-9-12)14-10-17-18-15(14)19-22(20,21)13-4-2-1-3-5-13;19-21(20,12-6-2-1-3-7-12)18-14-13(10-16-17-14)11-5-4-8-15-9-11;19-21(20,11-6-2-1-3-7-11)18-14-12(10-16-17-14)13-8-4-5-9-15-13;19-21(20,12-4-2-1-3-5-12)18-14-13(10-16-17-14)11-6-8-15-9-7-11/h1-10H,(H2,17,18,19);1-10H,16H2,(H2,17,18,19);3*1-10H,(H2,16,17,18).
What are the key properties of N-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide;N-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide;N-(4-pyridin-2-yl-1H-pyrazol-5-yl)benzenesulfonamide;N-(4-pyridin-3-yl-1H-pyrazol-5-yl)benzenesulfonamide;N-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide?
N-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide;N-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide;N-(4-pyridin-2-yl-1H-pyrazol-5-yl)benzenesulfonamide;N-(4-pyridin-3-yl-1H-pyrazol-5-yl)benzenesulfonamide;N-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 1532.74 g/mol, XLogP of 12.29, 20 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide;N-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide;N-(4-pyridin-2-yl-1H-pyrazol-5-yl)benzenesulfonamide;N-(4-pyridin-3-yl-1H-pyrazol-5-yl)benzenesulfonamide;N-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 173322450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).