2-amino-4-[(1-methylpyrazol-4-yl)amino]benzenesulfonamide

C10H13N5O2S — CID 79770383

IUPAC2-amino-4-[(1-methylpyrazol-4-yl)amino]benzenesulfonamide
SMILESCn1cc(Nc2ccc(S(N)(=O)=O)c(N)c2)cn1
InChIInChI=1S/C10H13N5O2S/c1-15-6-8(5-13-15)14-7-2-3-10(9(11)4-7)18(12,16)17/h2-6,14H,11H2,1H3,(H2,12,16,17)
InChIKeyXZJHXMDOGKSAHM-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.39
Rot. Bonds3

About 2-amino-4-[(1-methylpyrazol-4-yl)amino]benzenesulfonamide

2-amino-4-[(1-methylpyrazol-4-yl)amino]benzenesulfonamide (PubChem CID 79770383) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-amino-4-[(1-methylpyrazol-4-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-[(1-methylpyrazol-4-yl)amino]benzenesulfonamide
PubChem CID79770383
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name2-amino-4-[(1-methylpyrazol-4-yl)amino]benzenesulfonamide
SMILESCn1cc(Nc2ccc(S(N)(=O)=O)c(N)c2)cn1
InChIInChI=1S/C10H13N5O2S/c1-15-6-8(5-13-15)14-7-2-3-10(9(11)4-7)18(12,16)17/h2-6,14H,11H2,1H3,(H2,12,16,17)
InChIKeyXZJHXMDOGKSAHM-UHFFFAOYSA-N
XLogP0.39
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.39
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

1-N-(1-methylpyrazol-4-yl)-4-nitrobenzene-1,3-diamine
CID 106748992
2-amino-5-[(1-methylpyrazol-4-yl)amino]benzamide
CID 61305903
2-methoxy-4-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine
CID 79770557
3-amino-4-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid
CID 81470973
2-amino-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide
CID 80680984
2-amino-4-(thiophen-3-ylamino)benzenesulfonamide
CID 79466458
2-amino-4-(ethylamino)benzenesulfonamide
CID 79466329
2-amino-4-(2-methylanilino)benzenesulfonamide
CID 79466882
2-amino-4-(2,5-dibromoanilino)benzenesulfonamide
CID 79467601
1-methyl-N-(3-methyl-4-nitrophenyl)pyrazol-4-amine
CID 43543829
1-N-(1-methylpyrazol-4-yl)benzene-1,2,4-triamine
CID 23212800
N-(3-bromo-4-sulfamoylphenyl)-1-methylpyrazole-4-carboxamide
CID 43246535

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(1-methylpyrazol-4-yl)amino]benzenesulfonamide?
The IUPAC name of 2-amino-4-[(1-methylpyrazol-4-yl)amino]benzenesulfonamide (CID 79770383) is 2-amino-4-[(1-methylpyrazol-4-yl)amino]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-[(1-methylpyrazol-4-yl)amino]benzenesulfonamide?
The canonical SMILES for 2-amino-4-[(1-methylpyrazol-4-yl)amino]benzenesulfonamide is Cn1cc(Nc2ccc(S(N)(=O)=O)c(N)c2)cn1.
What is the InChIKey of 2-amino-4-[(1-methylpyrazol-4-yl)amino]benzenesulfonamide?
The InChIKey is XZJHXMDOGKSAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-15-6-8(5-13-15)14-7-2-3-10(9(11)4-7)18(12,16)17/h2-6,14H,11H2,1H3,(H2,12,16,17).
What are the key properties of 2-amino-4-[(1-methylpyrazol-4-yl)amino]benzenesulfonamide?
2-amino-4-[(1-methylpyrazol-4-yl)amino]benzenesulfonamide has a molecular weight of 267.31 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(1-methylpyrazol-4-yl)amino]benzenesulfonamide is sourced from PubChem (CID 79770383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).