1-(5-bromothiophen-2-yl)sulfonyl-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine

C14H19BrN4O4S3 — CID 19684967

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine
SMILESCCn1ncc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c1C
InChIInChI=1S/C14H19BrN4O4S3/c1-3-19-11(2)12(10-16-19)25(20,21)17-6-8-18(9-7-17)26(22,23)14-5-4-13(15)24-14/h4-5,10H,3,6-9H2,1-2H3
InChIKeyAHUOLFYMDDPWOO-UHFFFAOYSA-N
MW483.44 g/mol
LogP1.73
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)sulfonyl-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine

1-(5-bromothiophen-2-yl)sulfonyl-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 19684967) has the molecular formula C14H19BrN4O4S3 and a molecular weight of 483.44 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine
PubChem CID19684967
Molecular FormulaC14H19BrN4O4S3
Molecular Weight483.44 g/mol
Exact Mass481.98
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine
SMILESCCn1ncc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c1C
InChIInChI=1S/C14H19BrN4O4S3/c1-3-19-11(2)12(10-16-19)25(20,21)17-6-8-18(9-7-17)26(22,23)14-5-4-13(15)24-14/h4-5,10H,3,6-9H2,1-2H3
InChIKeyAHUOLFYMDDPWOO-UHFFFAOYSA-N
XLogP1.73
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.44
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-bromothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine
CID 6470800
1-(5-bromothiophen-2-yl)sulfonyl-4-butylsulfonylpiperazine
CID 17264581
1-(2-adamantyl)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine
CID 22202160
1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine
CID 17022816
1-(5-bromothiophen-2-yl)sulfonylazepane
CID 893724
1-(5-bromothiophen-2-yl)sulfonyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 19684961
1-(5-bromothiophen-2-yl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine
CID 9442908
1-(5-bromothiophen-2-yl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine
CID 121094990
1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine
CID 22208056
1-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylsulfanylethanone
CID 9298446
1'-(1-ethyl-5-methylpyrazol-4-yl)sulfonylspiro[1H-indole-3,4'-piperidine]-2-one
CID 56903224
4-(bromomethyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine
CID 80669253

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine (CID 19684967) is 1-(5-bromothiophen-2-yl)sulfonyl-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine is CCn1ncc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c1C.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is AHUOLFYMDDPWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O4S3/c1-3-19-11(2)12(10-16-19)25(20,21)17-6-8-18(9-7-17)26(22,23)14-5-4-13(15)24-14/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine?
1-(5-bromothiophen-2-yl)sulfonyl-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 483.44 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonyl-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 19684967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).