5-bromo-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-sulfonamide

C16H14BrCl2N3O2S2 — CID 22202975

IUPAC5-bromo-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-sulfonamide
SMILESCc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C16H14BrCl2N3O2S2/c1-9-16(21-26(23,24)15-7-6-14(17)25-15)10(2)22(20-9)8-11-12(18)4-3-5-13(11)19/h3-7,21H,8H2,1-2H3
InChIKeyAFJHNFPUWXAWCH-UHFFFAOYSA-N
MW495.25 g/mol
LogP5.48
Rot. Bonds5

About 5-bromo-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-sulfonamide

5-bromo-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-sulfonamide (PubChem CID 22202975) has the molecular formula C16H14BrCl2N3O2S2 and a molecular weight of 495.25 g/mol. Its IUPAC name is 5-bromo-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-sulfonamide
PubChem CID22202975
Molecular FormulaC16H14BrCl2N3O2S2
Molecular Weight495.25 g/mol
Exact Mass492.91
IUPAC Name5-bromo-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-sulfonamide
SMILESCc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C16H14BrCl2N3O2S2/c1-9-16(21-26(23,24)15-7-6-14(17)25-15)10(2)22(20-9)8-11-12(18)4-3-5-13(11)19/h3-7,21H,8H2,1-2H3
InChIKeyAFJHNFPUWXAWCH-UHFFFAOYSA-N
XLogP5.48
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.25
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,4-dimethylbenzenesulfonamide
CID 22202959
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22202990
4,5-dibromo-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide
CID 19337651
5-bromo-N-[2-chloro-6-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 61392355
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,2,2-trifluoroacetamide
CID 19337687
N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-(2-methylpropyl)benzenesulfonamide
CID 22203838
2,4,5-trichloro-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide
CID 22205236
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,4-dimethylbenzamide
CID 19337761
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19337696
1-(4-chlorophenyl)-3-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
CID 19447801
1-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanone
CID 62727450
5-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide
CID 4770047

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-sulfonamide (CID 22202975) is 5-bromo-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-sulfonamide is Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-sulfonamide?
The InChIKey is AFJHNFPUWXAWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrCl2N3O2S2/c1-9-16(21-26(23,24)15-7-6-14(17)25-15)10(2)22(20-9)8-11-12(18)4-3-5-13(11)19/h3-7,21H,8H2,1-2H3.
What are the key properties of 5-bromo-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-sulfonamide?
5-bromo-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-sulfonamide has a molecular weight of 495.25 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 22202975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).