N-[3-(sulfamoylamino)phenyl]-1H-pyrazole-5-sulfonamide

C9H11N5O4S2 — CID 102692751

IUPACN-[3-(sulfamoylamino)phenyl]-1H-pyrazole-5-sulfonamide
SMILESNS(=O)(=O)Nc1cccc(NS(=O)(=O)c2ccn[nH]2)c1
InChIInChI=1S/C9H11N5O4S2/c10-20(17,18)14-8-3-1-2-7(6-8)13-19(15,16)9-4-5-11-12-9/h1-6,13-14H,(H,11,12)(H2,10,17,18)
InChIKeyIDPDPQUBGQZAOI-UHFFFAOYSA-N
MW317.35 g/mol
LogP-0.17
Rot. Bonds5

About N-[3-(sulfamoylamino)phenyl]-1H-pyrazole-5-sulfonamide

N-[3-(sulfamoylamino)phenyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102692751) has the molecular formula C9H11N5O4S2 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[3-(sulfamoylamino)phenyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(sulfamoylamino)phenyl]-1H-pyrazole-5-sulfonamide
PubChem CID102692751
Molecular FormulaC9H11N5O4S2
Molecular Weight317.35 g/mol
Exact Mass317.03
IUPAC NameN-[3-(sulfamoylamino)phenyl]-1H-pyrazole-5-sulfonamide
SMILESNS(=O)(=O)Nc1cccc(NS(=O)(=O)c2ccn[nH]2)c1
InChIInChI=1S/C9H11N5O4S2/c10-20(17,18)14-8-3-1-2-7(6-8)13-19(15,16)9-4-5-11-12-9/h1-6,13-14H,(H,11,12)(H2,10,17,18)
InChIKeyIDPDPQUBGQZAOI-UHFFFAOYSA-N
XLogP-0.17
TPSA147.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691568
2-methyl-N-[3-(1H-pyrazol-5-ylsulfonylamino)phenyl]propanamide
CID 102692658
N-[3-(dimethylsulfamoyl)phenyl]-1H-pyrazole-5-sulfonamide
CID 102691736
N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide
CID 102691960
N-(3,5-difluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691589
2-chloro-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride
CID 102691039
N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide
CID 102692428
N-[3-(1,3-oxazol-5-yl)phenyl]-1H-pyrazole-5-sulfonamide
CID 102691965
N-(3-fluoro-5-sulfamoylphenyl)-1H-pyrazole-5-sulfonamide
CID 102693893
N-[4-(methylamino)phenyl]-1H-pyrazole-5-sulfonamide
CID 102693540
2-fluoro-5-(1H-pyrazol-5-ylsulfonylamino)benzamide
CID 102692467
N-(4-tert-butylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691460

Frequently Asked Questions

What is the IUPAC name of N-[3-(sulfamoylamino)phenyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[3-(sulfamoylamino)phenyl]-1H-pyrazole-5-sulfonamide (CID 102692751) is N-[3-(sulfamoylamino)phenyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[3-(sulfamoylamino)phenyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[3-(sulfamoylamino)phenyl]-1H-pyrazole-5-sulfonamide is NS(=O)(=O)Nc1cccc(NS(=O)(=O)c2ccn[nH]2)c1.
What is the InChIKey of N-[3-(sulfamoylamino)phenyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is IDPDPQUBGQZAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O4S2/c10-20(17,18)14-8-3-1-2-7(6-8)13-19(15,16)9-4-5-11-12-9/h1-6,13-14H,(H,11,12)(H2,10,17,18).
What are the key properties of N-[3-(sulfamoylamino)phenyl]-1H-pyrazole-5-sulfonamide?
N-[3-(sulfamoylamino)phenyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 317.35 g/mol, XLogP of -0.17, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(sulfamoylamino)phenyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).