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

C17H19N5O2S — CID 6539628

IUPAC4-[[5-[4-(dimethylamino)phenyl]-1H-pyrazol-3-yl]amino]benzenesulfonamide
SMILESCN(C)c1ccc(-c2cc(Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cc1
InChIInChI=1S/C17H19N5O2S/c1-22(2)14-7-3-12(4-8-14)16-11-17(21-20-16)19-13-5-9-15(10-6-13)25(18,23)24/h3-11H,1-2H3,(H2,18,23,24)(H2,19,20,21)
InChIKeyQUQRWNFPIAUQHM-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.53
Rot. Bonds5

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

4-[[5-[4-(dimethylamino)phenyl]-1H-pyrazol-3-yl]amino]benzenesulfonamide (PubChem CID 6539628) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 4-[[5-[4-(dimethylamino)phenyl]-1H-pyrazol-3-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[5-[4-(dimethylamino)phenyl]-1H-pyrazol-3-yl]amino]benzenesulfonamide
PubChem CID6539628
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name4-[[5-[4-(dimethylamino)phenyl]-1H-pyrazol-3-yl]amino]benzenesulfonamide
SMILESCN(C)c1ccc(-c2cc(Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cc1
InChIInChI=1S/C17H19N5O2S/c1-22(2)14-7-3-12(4-8-14)16-11-17(21-20-16)19-13-5-9-15(10-6-13)25(18,23)24/h3-11H,1-2H3,(H2,18,23,24)(H2,19,20,21)
InChIKeyQUQRWNFPIAUQHM-UHFFFAOYSA-N
XLogP2.53
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[4-(dimethylamino)phenyl]-1H-pyrazol-3-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[5-[4-(dimethylamino)phenyl]-1H-pyrazol-3-yl]amino]benzenesulfonamide (CID 6539628) is 4-[[5-[4-(dimethylamino)phenyl]-1H-pyrazol-3-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[5-[4-(dimethylamino)phenyl]-1H-pyrazol-3-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[5-[4-(dimethylamino)phenyl]-1H-pyrazol-3-yl]amino]benzenesulfonamide is CN(C)c1ccc(-c2cc(Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cc1.
What is the InChIKey of 4-[[5-[4-(dimethylamino)phenyl]-1H-pyrazol-3-yl]amino]benzenesulfonamide?
The InChIKey is QUQRWNFPIAUQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-22(2)14-7-3-12(4-8-14)16-11-17(21-20-16)19-13-5-9-15(10-6-13)25(18,23)24/h3-11H,1-2H3,(H2,18,23,24)(H2,19,20,21).
What are the key properties of 4-[[5-[4-(dimethylamino)phenyl]-1H-pyrazol-3-yl]amino]benzenesulfonamide?
4-[[5-[4-(dimethylamino)phenyl]-1H-pyrazol-3-yl]amino]benzenesulfonamide has a molecular weight of 357.44 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[4-(dimethylamino)phenyl]-1H-pyrazol-3-yl]amino]benzenesulfonamide is sourced from PubChem (CID 6539628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).