N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2,4-dimethoxybenzenesulfonamide

C15H20BrN3O4S — CID 22208526

IUPACN-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCn2cc(Br)c(C)n2)c(OC)c1
InChIInChI=1S/C15H20BrN3O4S/c1-11-13(16)10-19(18-11)8-4-7-17-24(20,21)15-6-5-12(22-2)9-14(15)23-3/h5-6,9-10,17H,4,7-8H2,1-3H3
InChIKeyLWTCYQDAYZDQTI-UHFFFAOYSA-N
MW418.31 g/mol
LogP2.34
Rot. Bonds8

About N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2,4-dimethoxybenzenesulfonamide

N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2,4-dimethoxybenzenesulfonamide (PubChem CID 22208526) has the molecular formula C15H20BrN3O4S and a molecular weight of 418.31 g/mol. Its IUPAC name is N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2,4-dimethoxybenzenesulfonamide
PubChem CID22208526
Molecular FormulaC15H20BrN3O4S
Molecular Weight418.31 g/mol
Exact Mass417.04
IUPAC NameN-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCn2cc(Br)c(C)n2)c(OC)c1
InChIInChI=1S/C15H20BrN3O4S/c1-11-13(16)10-19(18-11)8-4-7-17-24(20,21)15-6-5-12(22-2)9-14(15)23-3/h5-6,9-10,17H,4,7-8H2,1-3H3
InChIKeyLWTCYQDAYZDQTI-UHFFFAOYSA-N
XLogP2.34
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethoxybenzenesulfonamide
CID 22207325
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2,4-dimethoxybenzenesulfonamide
CID 22208571
1-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(2,4-dimethoxyphenyl)thiourea
CID 19573041
2,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 22203631
N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide
CID 103918378
N-(4-aminobutyl)-2-bromo-4-methoxybenzenesulfonamide
CID 120713433
N-[2-(ethylamino)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 62664941
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 22209419
2,4-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 112500676
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 113102102
N-(2-bromo-4-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 22773975
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzenesulfonamide
CID 22205775

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2,4-dimethoxybenzenesulfonamide (CID 22208526) is N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCCn2cc(Br)c(C)n2)c(OC)c1.
What is the InChIKey of N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2,4-dimethoxybenzenesulfonamide?
The InChIKey is LWTCYQDAYZDQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O4S/c1-11-13(16)10-19(18-11)8-4-7-17-24(20,21)15-6-5-12(22-2)9-14(15)23-3/h5-6,9-10,17H,4,7-8H2,1-3H3.
What are the key properties of N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2,4-dimethoxybenzenesulfonamide?
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2,4-dimethoxybenzenesulfonamide has a molecular weight of 418.31 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 22208526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).