4-amino-3-chloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide

C10H11ClN4O2S — CID 115329714

IUPAC4-amino-3-chloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCn1cc(NS(=O)(=O)c2ccc(N)c(Cl)c2)cn1
InChIInChI=1S/C10H11ClN4O2S/c1-15-6-7(5-13-15)14-18(16,17)8-2-3-10(12)9(11)4-8/h2-6,14H,12H2,1H3
InChIKeyZYCWGFLUODUVHD-UHFFFAOYSA-N
MW286.74 g/mol
LogP1.46
Rot. Bonds3

About 4-amino-3-chloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide

4-amino-3-chloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide (PubChem CID 115329714) has the molecular formula C10H11ClN4O2S and a molecular weight of 286.74 g/mol. Its IUPAC name is 4-amino-3-chloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
PubChem CID115329714
Molecular FormulaC10H11ClN4O2S
Molecular Weight286.74 g/mol
Exact Mass286.03
IUPAC Name4-amino-3-chloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCn1cc(NS(=O)(=O)c2ccc(N)c(Cl)c2)cn1
InChIInChI=1S/C10H11ClN4O2S/c1-15-6-7(5-13-15)14-18(16,17)8-2-3-10(12)9(11)4-8/h2-6,14H,12H2,1H3
InChIKeyZYCWGFLUODUVHD-UHFFFAOYSA-N
XLogP1.46
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 82843709
3-chloro-4-cyano-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 47309988
4-amino-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 43534674
4-hydroxy-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 43535283
4-amino-3-chloro-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 18758681
5-chloro-6-(ethylamino)-N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide
CID 64607000
4-amino-3-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
CID 107463815
4-amino-3-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 115330084
N-(1-methylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 60824032
6-cyano-N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide
CID 113229615
3-amino-4-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid
CID 81470973
4-amino-N-(5-bromo-3-methyl-2-pyridinyl)-3-chlorobenzenesulfonamide
CID 83170947

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-amino-3-chloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide (CID 115329714) is 4-amino-3-chloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-chloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-chloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide is Cn1cc(NS(=O)(=O)c2ccc(N)c(Cl)c2)cn1.
What is the InChIKey of 4-amino-3-chloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is ZYCWGFLUODUVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2S/c1-15-6-7(5-13-15)14-18(16,17)8-2-3-10(12)9(11)4-8/h2-6,14H,12H2,1H3.
What are the key properties of 4-amino-3-chloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
4-amino-3-chloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 286.74 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 115329714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).