3-amino-4-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide

C10H13N5O2S — CID 61285265

IUPAC3-amino-4-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide
SMILESNc1cc(S(N)(=O)=O)ccc1NCc1ccn[nH]1
InChIInChI=1S/C10H13N5O2S/c11-9-5-8(18(12,16)17)1-2-10(9)13-6-7-3-4-14-15-7/h1-5,13H,6,11H2,(H,14,15)(H2,12,16,17)
InChIKeyNWDWHATWNKUTRL-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.25
Rot. Bonds4

About 3-amino-4-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide

3-amino-4-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide (PubChem CID 61285265) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-amino-4-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide
PubChem CID61285265
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name3-amino-4-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide
SMILESNc1cc(S(N)(=O)=O)ccc1NCc1ccn[nH]1
InChIInChI=1S/C10H13N5O2S/c11-9-5-8(18(12,16)17)1-2-10(9)13-6-7-3-4-14-15-7/h1-5,13H,6,11H2,(H,14,15)(H2,12,16,17)
InChIKeyNWDWHATWNKUTRL-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

3-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide
CID 43662319
3-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide
CID 54982423
3-amino-4-(2,3-dimethylbutylamino)benzenesulfonamide
CID 64568212
3-amino-4-[[3-(hydroxymethyl)phenyl]methylamino]benzenesulfonamide
CID 107231809
3-amino-4-[(3-chlorophenyl)methylamino]benzenesulfonamide
CID 62538734
3-amino-4-[(3-methylphenyl)methylamino]benzenesulfonamide
CID 60904104
3-amino-4-(2-ethoxyethylamino)benzenesulfonamide
CID 43591103
6-amino-5-(1H-pyrazol-5-ylmethylamino)-3H-1,3-benzoxazol-2-one
CID 113307392
3-amino-4-[(3-chloro-4-fluorophenyl)methylamino]benzenesulfonamide
CID 62537254
4-amino-N-methyl-3-(1H-pyrazol-5-ylmethylamino)benzamide
CID 63357258
3-amino-4-[(3-cyanophenyl)methylamino]benzenesulfonamide
CID 62312013
3-amino-4-[(2-methoxy-2-methylpropyl)amino]benzenesulfonamide
CID 113449899

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide?
The IUPAC name of 3-amino-4-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide (CID 61285265) is 3-amino-4-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 3-amino-4-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide is Nc1cc(S(N)(=O)=O)ccc1NCc1ccn[nH]1.
What is the InChIKey of 3-amino-4-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide?
The InChIKey is NWDWHATWNKUTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c11-9-5-8(18(12,16)17)1-2-10(9)13-6-7-3-4-14-15-7/h1-5,13H,6,11H2,(H,14,15)(H2,12,16,17).
What are the key properties of 3-amino-4-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide?
3-amino-4-(1H-pyrazol-5-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 3-amino-4-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 61285265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).