[4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride

C18H21Cl2N3O3S — CID 120738645

IUPAC[4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)Cc1ccc(C(=O)N2CCNCC2c2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClN3O3S.ClH/c19-16-4-2-1-3-15(16)17-11-21-9-10-22(17)18(23)14-7-5-13(6-8-14)12-26(20,24)25;/h1-8,17,21H,9-12H2,(H2,20,24,25);1H
InChIKeyCKJLPZLMIWUUAC-UHFFFAOYSA-N
MW430.36 g/mol
LogP2.34
Rot. Bonds4

About [4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride

[4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride (PubChem CID 120738645) has the molecular formula C18H21Cl2N3O3S and a molecular weight of 430.36 g/mol. Its IUPAC name is [4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name[4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride
PubChem CID120738645
Molecular FormulaC18H21Cl2N3O3S
Molecular Weight430.36 g/mol
Exact Mass429.07
IUPAC Name[4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)Cc1ccc(C(=O)N2CCNCC2c2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClN3O3S.ClH/c19-16-4-2-1-3-15(16)17-11-21-9-10-22(17)18(23)14-7-5-13(6-8-14)12-26(20,24)25;/h1-8,17,21H,9-12H2,(H2,20,24,25);1H
InChIKeyCKJLPZLMIWUUAC-UHFFFAOYSA-N
XLogP2.34
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride
CID 120739195
4-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N-diethylbenzamide
CID 120738630
1,3-benzodioxol-5-yl-[2-(2-chlorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120739017
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one;hydrochloride
CID 120739465
[2-(2-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 120738675
1-[2-(2-chlorophenyl)piperazin-1-yl]-4-methylsulfonylbutan-1-one;hydrochloride
CID 120739571
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 120739225
[2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone
CID 120739912
[2-(2-chlorophenyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone;hydrochloride
CID 120738665
N-[4-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride
CID 120739887
[2-(2-chlorophenyl)piperazin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone;dihydrochloride
CID 120738567
(4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733353

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride?
The IUPAC name of [4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride (CID 120738645) is [4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for [4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride?
The canonical SMILES for [4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride is Cl.NS(=O)(=O)Cc1ccc(C(=O)N2CCNCC2c2ccccc2Cl)cc1.
What is the InChIKey of [4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride?
The InChIKey is CKJLPZLMIWUUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S.ClH/c19-16-4-2-1-3-15(16)17-11-21-9-10-22(17)18(23)14-7-5-13(6-8-14)12-26(20,24)25;/h1-8,17,21H,9-12H2,(H2,20,24,25);1H.
What are the key properties of [4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride?
[4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride has a molecular weight of 430.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 120738645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).