(3-bromophenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone

C14H19BrN2O3S — CID 95753438

IUPAC(3-bromophenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
SMILESCS(=O)(=O)CCN1CCN(C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C14H19BrN2O3S/c1-21(19,20)10-9-16-5-7-17(8-6-16)14(18)12-3-2-4-13(15)11-12/h2-4,11H,5-10H2,1H3
InChIKeyPRFNJFDVKXXBBN-UHFFFAOYSA-N
MW375.29 g/mol
LogP1.25
Rot. Bonds4

About (3-bromophenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone

(3-bromophenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone (PubChem CID 95753438) has the molecular formula C14H19BrN2O3S and a molecular weight of 375.29 g/mol. Its IUPAC name is (3-bromophenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
PubChem CID95753438
Molecular FormulaC14H19BrN2O3S
Molecular Weight375.29 g/mol
Exact Mass374.03
IUPAC Name(3-bromophenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
SMILESCS(=O)(=O)CCN1CCN(C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C14H19BrN2O3S/c1-21(19,20)10-9-16-5-7-17(8-6-16)14(18)12-3-2-4-13(15)11-12/h2-4,11H,5-10H2,1H3
InChIKeyPRFNJFDVKXXBBN-UHFFFAOYSA-N
XLogP1.25
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-bromophenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone 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

(3-bromophenyl)-[4-[3-(dimethylamino)propyl]piperazin-1-yl]methanone
CID 113073783
tert-butyl N-[3-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]phenyl]carbamate
CID 56534026
(4-ethylphenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94063036
(4-methylphenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94448657
2-[4-(3-bromobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 47110866
[3-[(4-fluorophenyl)methoxy]phenyl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 56572417
(3-bromophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 90533249
[4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 52859810
2-[4-(3-bromobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440312
2-[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]acetic acid
CID 62824100
(3-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325535
3-(4-propylpiperazine-1-carbonyl)benzoic acid
CID 43452662

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
The IUPAC name of (3-bromophenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone (CID 95753438) is (3-bromophenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-bromophenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-bromophenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone is CS(=O)(=O)CCN1CCN(C(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of (3-bromophenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
The InChIKey is PRFNJFDVKXXBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3S/c1-21(19,20)10-9-16-5-7-17(8-6-16)14(18)12-3-2-4-13(15)11-12/h2-4,11H,5-10H2,1H3.
What are the key properties of (3-bromophenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
(3-bromophenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone has a molecular weight of 375.29 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 95753438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).