N-(3-bromophenyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide

C13H17BrN4O2S — CID 106061520

IUPACN-(3-bromophenyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
SMILESCCNCCn1cc(S(=O)(=O)Nc2cccc(Br)c2)cn1
InChIInChI=1S/C13H17BrN4O2S/c1-2-15-6-7-18-10-13(9-16-18)21(19,20)17-12-5-3-4-11(14)8-12/h3-5,8-10,15,17H,2,6-7H2,1H3
InChIKeyBRFFOXFEEMRPPQ-UHFFFAOYSA-N
MW373.28 g/mol
LogP2.06
Rot. Bonds7

About N-(3-bromophenyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide

N-(3-bromophenyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide (PubChem CID 106061520) has the molecular formula C13H17BrN4O2S and a molecular weight of 373.28 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
PubChem CID106061520
Molecular FormulaC13H17BrN4O2S
Molecular Weight373.28 g/mol
Exact Mass372.03
IUPAC NameN-(3-bromophenyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
SMILESCCNCCn1cc(S(=O)(=O)Nc2cccc(Br)c2)cn1
InChIInChI=1S/C13H17BrN4O2S/c1-2-15-6-7-18-10-13(9-16-18)21(19,20)17-12-5-3-4-11(14)8-12/h3-5,8-10,15,17H,2,6-7H2,1H3
InChIKeyBRFFOXFEEMRPPQ-UHFFFAOYSA-N
XLogP2.06
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(ethylamino)ethyl]-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide
CID 106087991
1-(2-aminoethyl)-N-(3-chlorophenyl)pyrazole-4-sulfonamide
CID 106060399
1-(2-aminoethyl)-N-(3-fluorophenyl)pyrazole-4-sulfonamide
CID 106060565
1-[2-(ethylamino)ethyl]-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazole-4-sulfonamide
CID 106090606
1-[2-(propylamino)ethyl]-N-thiophen-3-ylpyrazole-4-sulfonamide
CID 106069903
1-[2-(ethylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 106060932
1-[2-(ethylamino)ethyl]-N-pentylpyrazole-4-sulfonamide
CID 106058154
1-[2-(propan-2-ylamino)ethyl]-N-pyridin-3-ylpyrazole-4-sulfonamide
CID 106033533
N-(3-formylphenyl)-1-methylpyrazole-4-sulfonamide
CID 106912960
N-[3-[1-(ethylamino)ethyl]phenyl]-1-methylpyrazole-4-sulfonamide
CID 62063494
N-(cyclohexylmethyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
CID 106027786
N,N-diethyl-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzamide
CID 86980323

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(3-bromophenyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide (CID 106061520) is N-(3-bromophenyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-bromophenyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-bromophenyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide is CCNCCn1cc(S(=O)(=O)Nc2cccc(Br)c2)cn1.
What is the InChIKey of N-(3-bromophenyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide?
The InChIKey is BRFFOXFEEMRPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O2S/c1-2-15-6-7-18-10-13(9-16-18)21(19,20)17-12-5-3-4-11(14)8-12/h3-5,8-10,15,17H,2,6-7H2,1H3.
What are the key properties of N-(3-bromophenyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide?
N-(3-bromophenyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide has a molecular weight of 373.28 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106061520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).