2,4-dichloro-N-[[1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide;hydrochloride

C22H30Cl3N5O3S — CID 155568178

IUPAC2,4-dichloro-N-[[1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide;hydrochloride
SMILESCl.Cn1cc(S(=O)(=O)N2CCN(C3(CNC(=O)c4ccc(Cl)cc4Cl)CCCCC3)CC2)cn1
InChIInChI=1S/C22H29Cl2N5O3S.ClH/c1-27-15-18(14-26-27)33(31,32)29-11-9-28(10-12-29)22(7-3-2-4-8-22)16-25-21(30)19-6-5-17(23)13-20(19)24;/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,25,30);1H
InChIKeyOBLLNKBINHBERK-UHFFFAOYSA-N
MW550.94 g/mol
LogP3.59
Rot. Bonds6

About 2,4-dichloro-N-[[1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide;hydrochloride

2,4-dichloro-N-[[1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide;hydrochloride (PubChem CID 155568178) has the molecular formula C22H30Cl3N5O3S and a molecular weight of 550.94 g/mol. Its IUPAC name is 2,4-dichloro-N-[[1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2,4-dichloro-N-[[1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide;hydrochloride
PubChem CID155568178
Molecular FormulaC22H30Cl3N5O3S
Molecular Weight550.94 g/mol
Exact Mass549.11
IUPAC Name2,4-dichloro-N-[[1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide;hydrochloride
SMILESCl.Cn1cc(S(=O)(=O)N2CCN(C3(CNC(=O)c4ccc(Cl)cc4Cl)CCCCC3)CC2)cn1
InChIInChI=1S/C22H29Cl2N5O3S.ClH/c1-27-15-18(14-26-27)33(31,32)29-11-9-28(10-12-29)22(7-3-2-4-8-22)16-25-21(30)19-6-5-17(23)13-20(19)24;/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,25,30);1H
InChIKeyOBLLNKBINHBERK-UHFFFAOYSA-N
XLogP3.59
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.94
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,4-dichloro-N-[[1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide;hydrochloride 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

2,4-dichloro-N-((4-(cyclopropylmethyl)-1-(1-methyl-1H-pyrazol-4-ylsulfonyl)piperidin-4-yl)methyl)benzamide
CID 11656017
2,4-dichloro-N-((4-(3-fluoropyridin-2-yl)-1-(1-methyl-1H-pyrazol-4-ylsulfonyl)piperidin-4-yl)methyl)benzamide
CID 44591636
2,4-dichloro-N-((3-(3-fluoropyridin-2-yl)-1-(1-methyl-1H-pyrazol-4-ylsulfonyl)azetidin-3-yl)methyl)benzamide
CID 44591698
2,4-dichloro-N-((3-(cyclopropylmethyl)-1-(1-methyl-1H-pyrazol-4-ylsulfonyl)azetidin-3-yl)methyl)benzamide
CID 44591699
2,4-dichloro-N-[[4,4-difluoro-1-[4-(1-methyltriazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide;hydrochloride
CID 117897929
2,6-dichloro-N-[[4,4-difluoro-1-[4-(1-methyltriazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide;hydrochloride
CID 117898196
2,4-dichloro-N-[[1-[4-(1-methyltriazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide;hydrochloride
CID 155565435
US9415055, (+)2,6-dichloro-N-[2-(4,4-difluoro-1-piperidyl)-2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 117868633
US9656955, Example 43
CID 90404577
(2-chloro-6-fluorophenyl)(4-((1-methyl-1H-pyrazol-4-yl)sulfonyl)-1,4-diazepan-1-yl)methanone
CID 91629410
4-[(2,6-dichlorobenzoyl)amino]-1-methyl-N-[1-[3-(prop-2-enoylamino)phenyl]sulfonylpiperidin-4-yl]pyrazole-3-carboxamide
CID 152604419
4-[(2,6-dichlorobenzoyl)amino]-N-[1-[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]sulfonylpiperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 152698041

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide;hydrochloride?
The IUPAC name of 2,4-dichloro-N-[[1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide;hydrochloride (CID 155568178) is 2,4-dichloro-N-[[1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide;hydrochloride.
What is the SMILES notation for 2,4-dichloro-N-[[1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide;hydrochloride?
The canonical SMILES for 2,4-dichloro-N-[[1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide;hydrochloride is Cl.Cn1cc(S(=O)(=O)N2CCN(C3(CNC(=O)c4ccc(Cl)cc4Cl)CCCCC3)CC2)cn1.
What is the InChIKey of 2,4-dichloro-N-[[1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide;hydrochloride?
The InChIKey is OBLLNKBINHBERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29Cl2N5O3S.ClH/c1-27-15-18(14-26-27)33(31,32)29-11-9-28(10-12-29)22(7-3-2-4-8-22)16-25-21(30)19-6-5-17(23)13-20(19)24;/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,25,30);1H.
What are the key properties of 2,4-dichloro-N-[[1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide;hydrochloride?
2,4-dichloro-N-[[1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide;hydrochloride has a molecular weight of 550.94 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide;hydrochloride is sourced from PubChem (CID 155568178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).