4-amino-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide

C9H8Cl2N4O2S — CID 61393048

IUPAC4-amino-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide
SMILESNc1cc(Cl)c(S(=O)(=O)Nc2ccn[nH]2)c(Cl)c1
InChIInChI=1S/C9H8Cl2N4O2S/c10-6-3-5(12)4-7(11)9(6)18(16,17)15-8-1-2-13-14-8/h1-4H,12H2,(H2,13,14,15)
InChIKeyAXTHSLWZBOCBKB-UHFFFAOYSA-N
MW307.16 g/mol
LogP2.10
Rot. Bonds3

About 4-amino-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide

4-amino-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 61393048) has the molecular formula C9H8Cl2N4O2S and a molecular weight of 307.16 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID61393048
Molecular FormulaC9H8Cl2N4O2S
Molecular Weight307.16 g/mol
Exact Mass305.97
IUPAC Name4-amino-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide
SMILESNc1cc(Cl)c(S(=O)(=O)Nc2ccn[nH]2)c(Cl)c1
InChIInChI=1S/C9H8Cl2N4O2S/c10-6-3-5(12)4-7(11)9(6)18(16,17)15-8-1-2-13-14-8/h1-4H,12H2,(H2,13,14,15)
InChIKeyAXTHSLWZBOCBKB-UHFFFAOYSA-N
XLogP2.10
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394406
4-amino-2-chloro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61393032
4-amino-2,6-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 79234681
5-amino-2-fluoro-3-methyl-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 80646555
4-amino-2,6-dichloro-N-(1H-imidazol-2-yl)benzenesulfonamide
CID 63564448
3-amino-4-bromo-5-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 103077395
4-amino-2,6-dichloro-N-(4-methylphenyl)benzenesulfonamide
CID 43257455
2-bromo-4,6-difluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394148
4-amino-2,6-dichloro-N-(5-chloro-2-pyridinyl)benzenesulfonamide
CID 43258680
3-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394082
4-amino-3-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 81437806
5-chloro-4-methyl-N-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 103100304

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide (CID 61393048) is 4-amino-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide is Nc1cc(Cl)c(S(=O)(=O)Nc2ccn[nH]2)c(Cl)c1.
What is the InChIKey of 4-amino-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is AXTHSLWZBOCBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N4O2S/c10-6-3-5(12)4-7(11)9(6)18(16,17)15-8-1-2-13-14-8/h1-4H,12H2,(H2,13,14,15).
What are the key properties of 4-amino-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide?
4-amino-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 307.16 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 61393048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).