3-[5-ethoxy-6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide

C18H17N5O3S — CID 71682299

IUPAC3-[5-ethoxy-6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide
SMILESCCOc1cc2c(-c3cccc(S(N)(=O)=O)c3)n[nH]c2cc1-c1cn[nH]c1
InChIInChI=1S/C18H17N5O3S/c1-2-26-17-8-15-16(7-14(17)12-9-20-21-10-12)22-23-18(15)11-4-3-5-13(6-11)27(19,24)25/h3-10H,2H2,1H3,(H,20,21)(H,22,23)(H2,19,24,25)
InChIKeyYZTLHDUNASRPOV-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.67
Rot. Bonds5

About 3-[5-ethoxy-6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide

3-[5-ethoxy-6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide (PubChem CID 71682299) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is 3-[5-ethoxy-6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[5-ethoxy-6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide
PubChem CID71682299
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC Name3-[5-ethoxy-6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide
SMILESCCOc1cc2c(-c3cccc(S(N)(=O)=O)c3)n[nH]c2cc1-c1cn[nH]c1
InChIInChI=1S/C18H17N5O3S/c1-2-26-17-8-15-16(7-14(17)12-9-20-21-10-12)22-23-18(15)11-4-3-5-13(6-11)27(19,24)25/h3-10H,2H2,1H3,(H,20,21)(H,22,23)(H2,19,24,25)
InChIKeyYZTLHDUNASRPOV-UHFFFAOYSA-N
XLogP2.67
TPSA126.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-ethoxy-6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide?
The IUPAC name of 3-[5-ethoxy-6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide (CID 71682299) is 3-[5-ethoxy-6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-[5-ethoxy-6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide?
The canonical SMILES for 3-[5-ethoxy-6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide is CCOc1cc2c(-c3cccc(S(N)(=O)=O)c3)n[nH]c2cc1-c1cn[nH]c1.
What is the InChIKey of 3-[5-ethoxy-6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide?
The InChIKey is YZTLHDUNASRPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c1-2-26-17-8-15-16(7-14(17)12-9-20-21-10-12)22-23-18(15)11-4-3-5-13(6-11)27(19,24)25/h3-10H,2H2,1H3,(H,20,21)(H,22,23)(H2,19,24,25).
What are the key properties of 3-[5-ethoxy-6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide?
3-[5-ethoxy-6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide has a molecular weight of 383.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-ethoxy-6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 71682299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).