N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzenesulfonamide

C18H17BrClN3O4S — CID 22205775

IUPACN-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nn(Cc3ccccc3Cl)cc2Br)c(OC)c1
InChIInChI=1S/C18H17BrClN3O4S/c1-26-13-7-8-17(16(9-13)27-2)28(24,25)22-18-14(19)11-23(21-18)10-12-5-3-4-6-15(12)20/h3-9,11H,10H2,1-2H3,(H,21,22)
InChIKeyNONALYGKILRINX-UHFFFAOYSA-N
MW486.78 g/mol
LogP4.17
Rot. Bonds7

About N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzenesulfonamide

N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzenesulfonamide (PubChem CID 22205775) has the molecular formula C18H17BrClN3O4S and a molecular weight of 486.78 g/mol. Its IUPAC name is N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzenesulfonamide
PubChem CID22205775
Molecular FormulaC18H17BrClN3O4S
Molecular Weight486.78 g/mol
Exact Mass484.98
IUPAC NameN-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nn(Cc3ccccc3Cl)cc2Br)c(OC)c1
InChIInChI=1S/C18H17BrClN3O4S/c1-26-13-7-8-17(16(9-13)27-2)28(24,25)22-18-14(19)11-23(21-18)10-12-5-3-4-6-15(12)20/h3-9,11H,10H2,1-2H3,(H,21,22)
InChIKeyNONALYGKILRINX-UHFFFAOYSA-N
XLogP4.17
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.78
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(2,4-dimethoxyphenyl)thiourea
CID 19397058
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4,6-trimethylbenzenesulfonamide
CID 22205796
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 22205801
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methoxybenzamide
CID 19287018
N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2,4-dimethoxybenzenesulfonamide
CID 22772152
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19287198
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2,5-dimethoxybenzenesulfonamide
CID 39853526
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19287180
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-nitrobenzamide
CID 19287050
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2,4-dimethoxybenzenesulfonamide
CID 22208526
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanesulfonamide
CID 22206402
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
CID 39854132

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzenesulfonamide (CID 22205775) is N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2nn(Cc3ccccc3Cl)cc2Br)c(OC)c1.
What is the InChIKey of N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzenesulfonamide?
The InChIKey is NONALYGKILRINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrClN3O4S/c1-26-13-7-8-17(16(9-13)27-2)28(24,25)22-18-14(19)11-23(21-18)10-12-5-3-4-6-15(12)20/h3-9,11H,10H2,1-2H3,(H,21,22).
What are the key properties of N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzenesulfonamide?
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzenesulfonamide has a molecular weight of 486.78 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 22205775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).