4-amino-3-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide

C10H13N5O2S — CID 82907394

IUPAC4-amino-3-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1NCc1cn[nH]c1
InChIInChI=1S/C10H13N5O2S/c11-9-2-1-8(18(12,16)17)3-10(9)13-4-7-5-14-15-6-7/h1-3,5-6,13H,4,11H2,(H,14,15)(H2,12,16,17)
InChIKeyLIOKSJPEZBABLQ-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.25
Rot. Bonds4

About 4-amino-3-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide

4-amino-3-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide (PubChem CID 82907394) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 4-amino-3-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide
PubChem CID82907394
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name4-amino-3-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1NCc1cn[nH]c1
InChIInChI=1S/C10H13N5O2S/c11-9-2-1-8(18(12,16)17)3-10(9)13-4-7-5-14-15-6-7/h1-3,5-6,13H,4,11H2,(H,14,15)(H2,12,16,17)
InChIKeyLIOKSJPEZBABLQ-UHFFFAOYSA-N
XLogP0.25
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 106899228
4-amino-3-(thiophen-3-ylmethylamino)benzenesulfonamide
CID 82899421
4-amino-3-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide
CID 82900249
4-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide
CID 82899590
4-amino-3-(2-pyridin-4-ylethylamino)benzenesulfonamide
CID 82907842
4-amino-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 61126765
4-N-(1H-pyrazol-4-ylmethyl)-2,1,3-benzoxadiazole-4,7-diamine
CID 54982283
3-methyl-5-N-(1H-pyrazol-4-ylmethyl)isoquinoline-5,8-diamine
CID 102713215
2-amino-5-bromo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 61126768
4-amino-3-(cyclopentylmethylamino)benzenesulfonamide
CID 82907537
2-amino-N-methyl-4-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide
CID 80645593
4-amino-3-(2-cyclopropylethylamino)benzenesulfonamide
CID 82898306

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide?
The IUPAC name of 4-amino-3-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide (CID 82907394) is 4-amino-3-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide is Nc1ccc(S(N)(=O)=O)cc1NCc1cn[nH]c1.
What is the InChIKey of 4-amino-3-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide?
The InChIKey is LIOKSJPEZBABLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c11-9-2-1-8(18(12,16)17)3-10(9)13-4-7-5-14-15-6-7/h1-3,5-6,13H,4,11H2,(H,14,15)(H2,12,16,17).
What are the key properties of 4-amino-3-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide?
4-amino-3-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide has a molecular weight of 267.31 g/mol, XLogP of 0.25, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 82907394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).