1-(2,3-dichlorophenyl)sulfonyl-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpiperidine-3-carboxamide

C24H28Cl2N4O3S — CID 11548169

IUPAC1-(2,3-dichlorophenyl)sulfonyl-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpiperidine-3-carboxamide
SMILESCN(CCc1ccc(C2=NCCN2)cc1)C(=O)C1CCCN(S(=O)(=O)c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C24H28Cl2N4O3S/c1-29(15-11-17-7-9-18(10-8-17)23-27-12-13-28-23)24(31)19-4-3-14-30(16-19)34(32,33)21-6-2-5-20(25)22(21)26/h2,5-10,19H,3-4,11-16H2,1H3,(H,27,28)
InChIKeyQLHLWQGVUSPSLB-UHFFFAOYSA-N
MW523.49 g/mol
LogP3.44
Rot. Bonds7

About 1-(2,3-dichlorophenyl)sulfonyl-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpiperidine-3-carboxamide

1-(2,3-dichlorophenyl)sulfonyl-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpiperidine-3-carboxamide (PubChem CID 11548169) has the molecular formula C24H28Cl2N4O3S and a molecular weight of 523.49 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)sulfonyl-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)sulfonyl-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpiperidine-3-carboxamide
PubChem CID11548169
Molecular FormulaC24H28Cl2N4O3S
Molecular Weight523.49 g/mol
Exact Mass522.13
IUPAC Name1-(2,3-dichlorophenyl)sulfonyl-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpiperidine-3-carboxamide
SMILESCN(CCc1ccc(C2=NCCN2)cc1)C(=O)C1CCCN(S(=O)(=O)c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C24H28Cl2N4O3S/c1-29(15-11-17-7-9-18(10-8-17)23-27-12-13-28-23)24(31)19-4-3-14-30(16-19)34(32,33)21-6-2-5-20(25)22(21)26/h2,5-10,19H,3-4,11-16H2,1H3,(H,27,28)
InChIKeyQLHLWQGVUSPSLB-UHFFFAOYSA-N
XLogP3.44
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1R,3S)-3-[(2,3-dichlorophenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylcyclohexane-1-carboxamide
CID 58638762
cis-(1R,3S)-3-[(2,3-dichlorophenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylcyclopentane-1-carboxamide
CID 58638688
4-[(2,3-dichlorophenyl)sulfonylmethylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylbutanamide
CID 69421728
3-[1-(benzenesulfonyl)piperidin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide
CID 11540291
3-[(5-chloronaphthalen-1-yl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide;2,2,2-trifluoroacetic acid
CID 69422440
2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide
CID 57342494
3-[cyclopropylsulfonyl(methyl)amino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide
CID 11661136
(3S)-N-benzyl-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 126397995
N-[2-[(2,3-dichlorophenyl)sulfanyl-methylamino]ethyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-N-methylpropanamide
CID 89321078
N-[2-(4-cyanophenyl)ethyl]-2-[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylacetamide
CID 69424060
N,1-dimethyl-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 110852658
(3R)-N-methyl-N-[(4-methylphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 100665394

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)sulfonyl-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(2,3-dichlorophenyl)sulfonyl-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpiperidine-3-carboxamide (CID 11548169) is 1-(2,3-dichlorophenyl)sulfonyl-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dichlorophenyl)sulfonyl-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dichlorophenyl)sulfonyl-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpiperidine-3-carboxamide is CN(CCc1ccc(C2=NCCN2)cc1)C(=O)C1CCCN(S(=O)(=O)c2cccc(Cl)c2Cl)C1.
What is the InChIKey of 1-(2,3-dichlorophenyl)sulfonyl-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is QLHLWQGVUSPSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N4O3S/c1-29(15-11-17-7-9-18(10-8-17)23-27-12-13-28-23)24(31)19-4-3-14-30(16-19)34(32,33)21-6-2-5-20(25)22(21)26/h2,5-10,19H,3-4,11-16H2,1H3,(H,27,28).
What are the key properties of 1-(2,3-dichlorophenyl)sulfonyl-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpiperidine-3-carboxamide?
1-(2,3-dichlorophenyl)sulfonyl-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 523.49 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)sulfonyl-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 11548169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).