4-[[5-[3-(methanesulfonamido)phenyl]-1H-pyrazol-3-yl]amino]benzenesulfonamide

C16H17N5O4S2 — CID 6539621

IUPAC4-[[5-[3-(methanesulfonamido)phenyl]-1H-pyrazol-3-yl]amino]benzenesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cc(Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)c1
InChIInChI=1S/C16H17N5O4S2/c1-26(22,23)21-13-4-2-3-11(9-13)15-10-16(20-19-15)18-12-5-7-14(8-6-12)27(17,24)25/h2-10,21H,1H3,(H2,17,24,25)(H2,18,19,20)
InChIKeyNBWQLTANUJBFJB-UHFFFAOYSA-N
MW407.48 g/mol
LogP1.84
Rot. Bonds6

About 4-[[5-[3-(methanesulfonamido)phenyl]-1H-pyrazol-3-yl]amino]benzenesulfonamide

4-[[5-[3-(methanesulfonamido)phenyl]-1H-pyrazol-3-yl]amino]benzenesulfonamide (PubChem CID 6539621) has the molecular formula C16H17N5O4S2 and a molecular weight of 407.48 g/mol. Its IUPAC name is 4-[[5-[3-(methanesulfonamido)phenyl]-1H-pyrazol-3-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[5-[3-(methanesulfonamido)phenyl]-1H-pyrazol-3-yl]amino]benzenesulfonamide
PubChem CID6539621
Molecular FormulaC16H17N5O4S2
Molecular Weight407.48 g/mol
Exact Mass407.07
IUPAC Name4-[[5-[3-(methanesulfonamido)phenyl]-1H-pyrazol-3-yl]amino]benzenesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cc(Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)c1
InChIInChI=1S/C16H17N5O4S2/c1-26(22,23)21-13-4-2-3-11(9-13)15-10-16(20-19-15)18-12-5-7-14(8-6-12)27(17,24)25/h2-10,21H,1H3,(H2,17,24,25)(H2,18,19,20)
InChIKeyNBWQLTANUJBFJB-UHFFFAOYSA-N
XLogP1.84
TPSA147.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[3-(methanesulfonamido)phenyl]-1H-pyrazol-3-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[5-[3-(methanesulfonamido)phenyl]-1H-pyrazol-3-yl]amino]benzenesulfonamide (CID 6539621) is 4-[[5-[3-(methanesulfonamido)phenyl]-1H-pyrazol-3-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[5-[3-(methanesulfonamido)phenyl]-1H-pyrazol-3-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[5-[3-(methanesulfonamido)phenyl]-1H-pyrazol-3-yl]amino]benzenesulfonamide is CS(=O)(=O)Nc1cccc(-c2cc(Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)c1.
What is the InChIKey of 4-[[5-[3-(methanesulfonamido)phenyl]-1H-pyrazol-3-yl]amino]benzenesulfonamide?
The InChIKey is NBWQLTANUJBFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4S2/c1-26(22,23)21-13-4-2-3-11(9-13)15-10-16(20-19-15)18-12-5-7-14(8-6-12)27(17,24)25/h2-10,21H,1H3,(H2,17,24,25)(H2,18,19,20).
What are the key properties of 4-[[5-[3-(methanesulfonamido)phenyl]-1H-pyrazol-3-yl]amino]benzenesulfonamide?
4-[[5-[3-(methanesulfonamido)phenyl]-1H-pyrazol-3-yl]amino]benzenesulfonamide has a molecular weight of 407.48 g/mol, XLogP of 1.84, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[3-(methanesulfonamido)phenyl]-1H-pyrazol-3-yl]amino]benzenesulfonamide is sourced from PubChem (CID 6539621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).