3-amino-4-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide

C11H15N5O2S — CID 102803689

IUPAC3-amino-4-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide
SMILESCc1nn(C)cc1Nc1ccc(S(N)(=O)=O)cc1N
InChIInChI=1S/C11H15N5O2S/c1-7-11(6-16(2)15-7)14-10-4-3-8(5-9(10)12)19(13,17)18/h3-6,14H,12H2,1-2H3,(H2,13,17,18)
InChIKeyWXURPGOSLKVFCO-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.70
Rot. Bonds3

About 3-amino-4-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide

3-amino-4-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide (PubChem CID 102803689) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-amino-4-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide
PubChem CID102803689
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name3-amino-4-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide
SMILESCc1nn(C)cc1Nc1ccc(S(N)(=O)=O)cc1N
InChIInChI=1S/C11H15N5O2S/c1-7-11(6-16(2)15-7)14-10-4-3-8(5-9(10)12)19(13,17)18/h3-6,14H,12H2,1-2H3,(H2,13,17,18)
InChIKeyWXURPGOSLKVFCO-UHFFFAOYSA-N
XLogP0.70
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 102803496
4-amino-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide
CID 107462094
3-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide
CID 104955799
N-[4-(difluoromethylsulfonyl)phenyl]-1,3-dimethylpyrazol-4-amine
CID 103894572
4-N-(1,3-dimethylpyrazol-4-yl)benzene-1,2,4-triamine
CID 106751256
3-amino-4-(2-bromoanilino)benzenesulfonamide
CID 43330972
3-amino-4-(3-methylanilino)benzenesulfonamide
CID 43153464
3-amino-4-(2,4-difluoroanilino)benzenesulfonamide
CID 43153461
2-chloro-4-N-(1,3-dimethylpyrazol-4-yl)-5-methylbenzene-1,4-diamine
CID 102803593
3-amino-4-(5-chloro-2-fluoroanilino)benzenesulfonamide
CID 43438429
5-amino-2-[(1,3-dimethylpyrazol-4-yl)amino]benzonitrile
CID 102803725
4-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide
CID 107463553

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide?
The IUPAC name of 3-amino-4-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide (CID 102803689) is 3-amino-4-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide?
The canonical SMILES for 3-amino-4-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide is Cc1nn(C)cc1Nc1ccc(S(N)(=O)=O)cc1N.
What is the InChIKey of 3-amino-4-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide?
The InChIKey is WXURPGOSLKVFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-7-11(6-16(2)15-7)14-10-4-3-8(5-9(10)12)19(13,17)18/h3-6,14H,12H2,1-2H3,(H2,13,17,18).
What are the key properties of 3-amino-4-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide?
3-amino-4-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide is sourced from PubChem (CID 102803689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).