3-amino-4-chloro-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide

C11H13ClN4O2S — CID 104616725

IUPAC3-amino-4-chloro-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2ccc(Cl)c(N)c2)n[nH]1
InChIInChI=1S/C11H13ClN4O2S/c1-2-7-5-11(15-14-7)16-19(17,18)8-3-4-9(12)10(13)6-8/h3-6H,2,13H2,1H3,(H2,14,15,16)
InChIKeyZBSHNXBTQCXMQU-UHFFFAOYSA-N
MW300.77 g/mol
LogP2.01
Rot. Bonds4

About 3-amino-4-chloro-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide

3-amino-4-chloro-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 104616725) has the molecular formula C11H13ClN4O2S and a molecular weight of 300.77 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID104616725
Molecular FormulaC11H13ClN4O2S
Molecular Weight300.77 g/mol
Exact Mass300.04
IUPAC Name3-amino-4-chloro-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2ccc(Cl)c(N)c2)n[nH]1
InChIInChI=1S/C11H13ClN4O2S/c1-2-7-5-11(15-14-7)16-19(17,18)8-3-4-9(12)10(13)6-8/h3-6H,2,13H2,1H3,(H2,14,15,16)
InChIKeyZBSHNXBTQCXMQU-UHFFFAOYSA-N
XLogP2.01
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4-chloro-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide (CID 104616725) is 3-amino-4-chloro-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-chloro-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-chloro-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide is CCc1cc(NS(=O)(=O)c2ccc(Cl)c(N)c2)n[nH]1.
What is the InChIKey of 3-amino-4-chloro-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is ZBSHNXBTQCXMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2S/c1-2-7-5-11(15-14-7)16-19(17,18)8-3-4-9(12)10(13)6-8/h3-6H,2,13H2,1H3,(H2,14,15,16).
What are the key properties of 3-amino-4-chloro-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide?
3-amino-4-chloro-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 300.77 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 104616725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).