3-[[3-(3-sulfamoylanilino)-1H-pyrazol-5-yl]amino]benzenesulfonamide

C15H16N6O4S2 — CID 135063681

IUPAC3-[[3-(3-sulfamoylanilino)-1H-pyrazol-5-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2cc(Nc3cccc(S(N)(=O)=O)c3)[nH]n2)c1
InChIInChI=1S/C15H16N6O4S2/c16-26(22,23)12-5-1-3-10(7-12)18-14-9-15(21-20-14)19-11-4-2-6-13(8-11)27(17,24)25/h1-9H,(H2,16,22,23)(H2,17,24,25)(H3,18,19,20,21)
InChIKeyNRZOKJPHIPPTSD-UHFFFAOYSA-N
MW408.47 g/mol
LogP1.19
Rot. Bonds6

About 3-[[3-(3-sulfamoylanilino)-1H-pyrazol-5-yl]amino]benzenesulfonamide

3-[[3-(3-sulfamoylanilino)-1H-pyrazol-5-yl]amino]benzenesulfonamide (PubChem CID 135063681) has the molecular formula C15H16N6O4S2 and a molecular weight of 408.47 g/mol. Its IUPAC name is 3-[[3-(3-sulfamoylanilino)-1H-pyrazol-5-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name3-[[3-(3-sulfamoylanilino)-1H-pyrazol-5-yl]amino]benzenesulfonamide
PubChem CID135063681
Molecular FormulaC15H16N6O4S2
Molecular Weight408.47 g/mol
Exact Mass408.07
IUPAC Name3-[[3-(3-sulfamoylanilino)-1H-pyrazol-5-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2cc(Nc3cccc(S(N)(=O)=O)c3)[nH]n2)c1
InChIInChI=1S/C15H16N6O4S2/c16-26(22,23)12-5-1-3-10(7-12)18-14-9-15(21-20-14)19-11-4-2-6-13(8-11)27(17,24)25/h1-9H,(H2,16,22,23)(H2,17,24,25)(H3,18,19,20,21)
InChIKeyNRZOKJPHIPPTSD-UHFFFAOYSA-N
XLogP1.19
TPSA173.06 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 51.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-sulfamoylanilino)-1H-pyrazol-5-yl]amino]benzenesulfonamide?
The IUPAC name of 3-[[3-(3-sulfamoylanilino)-1H-pyrazol-5-yl]amino]benzenesulfonamide (CID 135063681) is 3-[[3-(3-sulfamoylanilino)-1H-pyrazol-5-yl]amino]benzenesulfonamide.
What is the SMILES notation for 3-[[3-(3-sulfamoylanilino)-1H-pyrazol-5-yl]amino]benzenesulfonamide?
The canonical SMILES for 3-[[3-(3-sulfamoylanilino)-1H-pyrazol-5-yl]amino]benzenesulfonamide is NS(=O)(=O)c1cccc(Nc2cc(Nc3cccc(S(N)(=O)=O)c3)[nH]n2)c1.
What is the InChIKey of 3-[[3-(3-sulfamoylanilino)-1H-pyrazol-5-yl]amino]benzenesulfonamide?
The InChIKey is NRZOKJPHIPPTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O4S2/c16-26(22,23)12-5-1-3-10(7-12)18-14-9-15(21-20-14)19-11-4-2-6-13(8-11)27(17,24)25/h1-9H,(H2,16,22,23)(H2,17,24,25)(H3,18,19,20,21).
What are the key properties of 3-[[3-(3-sulfamoylanilino)-1H-pyrazol-5-yl]amino]benzenesulfonamide?
3-[[3-(3-sulfamoylanilino)-1H-pyrazol-5-yl]amino]benzenesulfonamide has a molecular weight of 408.47 g/mol, XLogP of 1.19, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-sulfamoylanilino)-1H-pyrazol-5-yl]amino]benzenesulfonamide is sourced from PubChem (CID 135063681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).