5-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide

C14H11BrClN3O2S2 — CID 4770047

IUPAC5-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cnn(Cc2ccccc2Cl)c1)c1ccc(Br)s1
InChIInChI=1S/C14H11BrClN3O2S2/c15-13-5-6-14(22-13)23(20,21)18-11-7-17-19(9-11)8-10-3-1-2-4-12(10)16/h1-7,9,18H,8H2
InChIKeySIILHLOUGJIENT-UHFFFAOYSA-N
MW432.75 g/mol
LogP4.21
Rot. Bonds5

About 5-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide

5-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide (PubChem CID 4770047) has the molecular formula C14H11BrClN3O2S2 and a molecular weight of 432.75 g/mol. Its IUPAC name is 5-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide
PubChem CID4770047
Molecular FormulaC14H11BrClN3O2S2
Molecular Weight432.75 g/mol
Exact Mass430.92
IUPAC Name5-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cnn(Cc2ccccc2Cl)c1)c1ccc(Br)s1
InChIInChI=1S/C14H11BrClN3O2S2/c15-13-5-6-14(22-13)23(20,21)18-11-7-17-19(9-11)8-10-3-1-2-4-12(10)16/h1-7,9,18H,8H2
InChIKeySIILHLOUGJIENT-UHFFFAOYSA-N
XLogP4.21
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.75
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-ethylbenzenesulfonamide
CID 22204533
5-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide
CID 17022730
4-chloro-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzenesulfonamide
CID 22204566
N-(1-benzylpyrazol-4-yl)-2-chlorobenzenesulfonamide
CID 60534309
5-bromo-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-2-sulfonamide
CID 90622453
4,5-dibromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19397696
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide
CID 22203135
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2,4-difluorobenzenesulfonamide
CID 22207089
5-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide
CID 4770409
5-bromo-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-sulfonamide
CID 22202975
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19524916
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide
CID 22204249

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide (CID 4770047) is 5-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1cnn(Cc2ccccc2Cl)c1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide?
The InChIKey is SIILHLOUGJIENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN3O2S2/c15-13-5-6-14(22-13)23(20,21)18-11-7-17-19(9-11)8-10-3-1-2-4-12(10)16/h1-7,9,18H,8H2.
What are the key properties of 5-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide?
5-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide has a molecular weight of 432.75 g/mol, XLogP of 4.21, 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-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 4770047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).