4-(4-chlorophenyl)sulfonyl-N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]piperazine-1-carboxamide

C27H37ClN4O3S — CID 69155111

IUPAC4-(4-chlorophenyl)sulfonyl-N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]piperazine-1-carboxamide
SMILESCC(CNCc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CCCCC1
InChIInChI=1S/C27H37ClN4O3S/c1-21(22-7-3-2-4-8-22)19-29-20-23-9-5-6-10-26(23)30-27(33)31-15-17-32(18-16-31)36(34,35)25-13-11-24(28)12-14-25/h5-6,9-14,21-22,29H,2-4,7-8,15-20H2,1H3,(H,30,33)
InChIKeyLYXYYZZANBXYLD-UHFFFAOYSA-N
MW533.14 g/mol
LogP5.18
Rot. Bonds8

About 4-(4-chlorophenyl)sulfonyl-N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]piperazine-1-carboxamide

4-(4-chlorophenyl)sulfonyl-N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]piperazine-1-carboxamide (PubChem CID 69155111) has the molecular formula C27H37ClN4O3S and a molecular weight of 533.14 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]piperazine-1-carboxamide
PubChem CID69155111
Molecular FormulaC27H37ClN4O3S
Molecular Weight533.14 g/mol
Exact Mass532.23
IUPAC Name4-(4-chlorophenyl)sulfonyl-N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]piperazine-1-carboxamide
SMILESCC(CNCc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CCCCC1
InChIInChI=1S/C27H37ClN4O3S/c1-21(22-7-3-2-4-8-22)19-29-20-23-9-5-6-10-26(23)30-27(33)31-15-17-32(18-16-31)36(34,35)25-13-11-24(28)12-14-25/h5-6,9-14,21-22,29H,2-4,7-8,15-20H2,1H3,(H,30,33)
InChIKeyLYXYYZZANBXYLD-UHFFFAOYSA-N
XLogP5.18
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.14
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-chlorophenyl)sulfonyl-N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]piperazine-1-carboxamide with MolForge

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Related Compounds

4-(benzenesulfonyl)-N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]piperazine-1-carboxamide
CID 68953647
N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 68948948
N-(2-ethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6467053
[4-[[2-[(2-cyclohexylpropylamino)methyl]phenyl]sulfamoyl]phenyl] carbamate
CID 69154090
N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]formamide
CID 87716622
4-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carboxamide
CID 46673692
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 26202318
(3R)-1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 1081660
1-(4-chlorophenyl)sulfonyl-3-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]urea
CID 68950856
N-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 17299399
4-(benzenesulfonyl)-N-(4-chloro-2-fluorophenyl)piperazine-1-carboxamide
CID 17249913
4-(benzenesulfonyl)-N-[(S)-(4-chlorophenyl)-cyclopropylmethyl]piperazine-1-carboxamide
CID 41200236

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]piperazine-1-carboxamide (CID 69155111) is 4-(4-chlorophenyl)sulfonyl-N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]piperazine-1-carboxamide is CC(CNCc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CCCCC1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]piperazine-1-carboxamide?
The InChIKey is LYXYYZZANBXYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37ClN4O3S/c1-21(22-7-3-2-4-8-22)19-29-20-23-9-5-6-10-26(23)30-27(33)31-15-17-32(18-16-31)36(34,35)25-13-11-24(28)12-14-25/h5-6,9-14,21-22,29H,2-4,7-8,15-20H2,1H3,(H,30,33).
What are the key properties of 4-(4-chlorophenyl)sulfonyl-N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]piperazine-1-carboxamide?
4-(4-chlorophenyl)sulfonyl-N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]piperazine-1-carboxamide has a molecular weight of 533.14 g/mol, XLogP of 5.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 69155111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).