N-cyclohexyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide

C19H27Cl2N3O3S — CID 17496887

IUPACN-cyclohexyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CCCCC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C19H27Cl2N3O3S/c1-14(19(25)22-15-6-3-2-4-7-15)23-10-12-24(13-11-23)28(26,27)17-9-5-8-16(20)18(17)21/h5,8-9,14-15H,2-4,6-7,10-13H2,1H3,(H,22,25)
InChIKeyHMPNKUIUZCWHBI-UHFFFAOYSA-N
MW448.42 g/mol
LogP3.14
Rot. Bonds5

About N-cyclohexyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide

N-cyclohexyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 17496887) has the molecular formula C19H27Cl2N3O3S and a molecular weight of 448.42 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide
PubChem CID17496887
Molecular FormulaC19H27Cl2N3O3S
Molecular Weight448.42 g/mol
Exact Mass447.12
IUPAC NameN-cyclohexyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CCCCC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C19H27Cl2N3O3S/c1-14(19(25)22-15-6-3-2-4-7-15)23-10-12-24(13-11-23)28(26,27)17-9-5-8-16(20)18(17)21/h5,8-9,14-15H,2-4,6-7,10-13H2,1H3,(H,22,25)
InChIKeyHMPNKUIUZCWHBI-UHFFFAOYSA-N
XLogP3.14
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-1,3,3-trimethylpiperidin-4-yl]acetamide
CID 57396447
2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-3,3-dimethylpiperidin-4-yl]acetamide
CID 57398238
2-[(3-chlorophenyl)sulfonyl-methylamino]-N-cyclopentylacetamide
CID 4788586
(3R)-4-(2,3-dichlorophenyl)sulfonyl-3-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydropyrazin-2-one
CID 17751422
(3R)-4-(2,3-dichlorophenyl)sulfonyl-3-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydropyrazin-2-one
CID 57398239
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide
CID 803952
N~2~-[(2,5-dichlorophenyl)sulfonyl]-N~2~-methyl-N~1~-(2,2,6,6-tetramethyl-4-piperidinyl)glycinamide
CID 1301626
N-[(2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 2106881
2-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 4572889
2-{4-[(4-chlorophenyl)sulfonyl]piperazinyl}-N-cyclopentylacetamide
CID 6470953
2-[4-(3,4-Dichlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 9533976
1-(2,5-dichlorophenyl)sulfonyl-N-[[1-(dimethylamino)cyclohexyl]methyl]piperidine-4-carboxamide
CID 17512662

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of N-cyclohexyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide (CID 17496887) is N-cyclohexyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for N-cyclohexyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide is CC(C(=O)NC1CCCCC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of N-cyclohexyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is HMPNKUIUZCWHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27Cl2N3O3S/c1-14(19(25)22-15-6-3-2-4-7-15)23-10-12-24(13-11-23)28(26,27)17-9-5-8-16(20)18(17)21/h5,8-9,14-15H,2-4,6-7,10-13H2,1H3,(H,22,25).
What are the key properties of N-cyclohexyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide?
N-cyclohexyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 448.42 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 17496887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).