4-bromo-5-chloro-N-(4-methoxy-3-piperazin-1-ylphenyl)thiophene-2-sulfonamide

C15H17BrClN3O3S2 — CID 18180179

IUPAC4-bromo-5-chloro-N-(4-methoxy-3-piperazin-1-ylphenyl)thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(Br)c(Cl)s2)cc1N1CCNCC1
InChIInChI=1S/C15H17BrClN3O3S2/c1-23-13-3-2-10(8-12(13)20-6-4-18-5-7-20)19-25(21,22)14-9-11(16)15(17)24-14/h2-3,8-9,18-19H,4-7H2,1H3
InChIKeyHKFCBHKPSFXBIQ-UHFFFAOYSA-N
MW466.81 g/mol
LogP3.38
Rot. Bonds5

About 4-bromo-5-chloro-N-(4-methoxy-3-piperazin-1-ylphenyl)thiophene-2-sulfonamide

4-bromo-5-chloro-N-(4-methoxy-3-piperazin-1-ylphenyl)thiophene-2-sulfonamide (PubChem CID 18180179) has the molecular formula C15H17BrClN3O3S2 and a molecular weight of 466.81 g/mol. Its IUPAC name is 4-bromo-5-chloro-N-(4-methoxy-3-piperazin-1-ylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-bromo-5-chloro-N-(4-methoxy-3-piperazin-1-ylphenyl)thiophene-2-sulfonamide
PubChem CID18180179
Molecular FormulaC15H17BrClN3O3S2
Molecular Weight466.81 g/mol
Exact Mass464.96
IUPAC Name4-bromo-5-chloro-N-(4-methoxy-3-piperazin-1-ylphenyl)thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(Br)c(Cl)s2)cc1N1CCNCC1
InChIInChI=1S/C15H17BrClN3O3S2/c1-23-13-3-2-10(8-12(13)20-6-4-18-5-7-20)19-25(21,22)14-9-11(16)15(17)24-14/h2-3,8-9,18-19H,4-7H2,1H3
InChIKeyHKFCBHKPSFXBIQ-UHFFFAOYSA-N
XLogP3.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.81
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-(4-methoxy-3-piperazin-1-ylphenyl)-3-methyl-1-benzothiophene-2-sulfonamide;hydrochloride
CID 6918455
2-bromo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide;hydrochloride
CID 44533201
2,2-difluoro-N-(4-methoxy-3-piperazin-1-ylphenyl)-1,3-benzodioxole-4-sulfonamide;hydrochloride
CID 67095157
4-bromo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 6918647
4-methoxy-N-[3-(1-methoxyethyl)phenyl]-3-piperazin-1-ylbenzenesulfonamide;hydrochloride
CID 57334668
5-bromo-N-(4-methoxy-3-methylphenyl)-4-methylthiophene-2-sulfonamide
CID 79933087
N-[3-(difluoromethoxy)phenyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide;hydrochloride
CID 66744407
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 18180115
4-bromo-N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-3-methylbenzenesulfonamide
CID 11669948
N-(2-tert-butylphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 18354562
N-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-5-thiophen-3-ylthiophene-2-sulfonamide
CID 11648350
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-phenylbenzenesulfonamide
CID 18180082

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-N-(4-methoxy-3-piperazin-1-ylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 4-bromo-5-chloro-N-(4-methoxy-3-piperazin-1-ylphenyl)thiophene-2-sulfonamide (CID 18180179) is 4-bromo-5-chloro-N-(4-methoxy-3-piperazin-1-ylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-bromo-5-chloro-N-(4-methoxy-3-piperazin-1-ylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-bromo-5-chloro-N-(4-methoxy-3-piperazin-1-ylphenyl)thiophene-2-sulfonamide is COc1ccc(NS(=O)(=O)c2cc(Br)c(Cl)s2)cc1N1CCNCC1.
What is the InChIKey of 4-bromo-5-chloro-N-(4-methoxy-3-piperazin-1-ylphenyl)thiophene-2-sulfonamide?
The InChIKey is HKFCBHKPSFXBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClN3O3S2/c1-23-13-3-2-10(8-12(13)20-6-4-18-5-7-20)19-25(21,22)14-9-11(16)15(17)24-14/h2-3,8-9,18-19H,4-7H2,1H3.
What are the key properties of 4-bromo-5-chloro-N-(4-methoxy-3-piperazin-1-ylphenyl)thiophene-2-sulfonamide?
4-bromo-5-chloro-N-(4-methoxy-3-piperazin-1-ylphenyl)thiophene-2-sulfonamide has a molecular weight of 466.81 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-N-(4-methoxy-3-piperazin-1-ylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 18180179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).