3-[5-(phenylsulfamoylamino)-1H-indazol-3-yl]benzenesulfonamide

C19H17N5O4S2 — CID 118712917

IUPAC3-[5-(phenylsulfamoylamino)-1H-indazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NS(=O)(=O)Nc4ccccc4)cc23)c1
InChIInChI=1S/C19H17N5O4S2/c20-29(25,26)16-8-4-5-13(11-16)19-17-12-15(9-10-18(17)21-22-19)24-30(27,28)23-14-6-2-1-3-7-14/h1-12,23-24H,(H,21,22)(H2,20,25,26)
InChIKeyZOEKLDLQQXDJBZ-UHFFFAOYSA-N
MW443.51 g/mol
LogP2.65
Rot. Bonds6

About 3-[5-(phenylsulfamoylamino)-1H-indazol-3-yl]benzenesulfonamide

3-[5-(phenylsulfamoylamino)-1H-indazol-3-yl]benzenesulfonamide (PubChem CID 118712917) has the molecular formula C19H17N5O4S2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 3-[5-(phenylsulfamoylamino)-1H-indazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[5-(phenylsulfamoylamino)-1H-indazol-3-yl]benzenesulfonamide
PubChem CID118712917
Molecular FormulaC19H17N5O4S2
Molecular Weight443.51 g/mol
Exact Mass443.07
IUPAC Name3-[5-(phenylsulfamoylamino)-1H-indazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NS(=O)(=O)Nc4ccccc4)cc23)c1
InChIInChI=1S/C19H17N5O4S2/c20-29(25,26)16-8-4-5-13(11-16)19-17-12-15(9-10-18(17)21-22-19)24-30(27,28)23-14-6-2-1-3-7-14/h1-12,23-24H,(H,21,22)(H2,20,25,26)
InChIKeyZOEKLDLQQXDJBZ-UHFFFAOYSA-N
XLogP2.65
TPSA147.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_E(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(phenylsulfamoylamino)-1H-indazol-3-yl]benzenesulfonamide?
The IUPAC name of 3-[5-(phenylsulfamoylamino)-1H-indazol-3-yl]benzenesulfonamide (CID 118712917) is 3-[5-(phenylsulfamoylamino)-1H-indazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-[5-(phenylsulfamoylamino)-1H-indazol-3-yl]benzenesulfonamide?
The canonical SMILES for 3-[5-(phenylsulfamoylamino)-1H-indazol-3-yl]benzenesulfonamide is NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NS(=O)(=O)Nc4ccccc4)cc23)c1.
What is the InChIKey of 3-[5-(phenylsulfamoylamino)-1H-indazol-3-yl]benzenesulfonamide?
The InChIKey is ZOEKLDLQQXDJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O4S2/c20-29(25,26)16-8-4-5-13(11-16)19-17-12-15(9-10-18(17)21-22-19)24-30(27,28)23-14-6-2-1-3-7-14/h1-12,23-24H,(H,21,22)(H2,20,25,26).
What are the key properties of 3-[5-(phenylsulfamoylamino)-1H-indazol-3-yl]benzenesulfonamide?
3-[5-(phenylsulfamoylamino)-1H-indazol-3-yl]benzenesulfonamide has a molecular weight of 443.51 g/mol, XLogP of 2.65, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(phenylsulfamoylamino)-1H-indazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 118712917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).