4-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carboxamide

C19H22ClN3O3S — CID 46673692

IUPAC4-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C19H22ClN3O3S/c1-15(16-5-3-2-4-6-16)21-19(24)22-11-13-23(14-12-22)27(25,26)18-9-7-17(20)8-10-18/h2-10,15H,11-14H2,1H3,(H,21,24)
InChIKeyRRHDEIGFYIIIGD-UHFFFAOYSA-N
MW407.92 g/mol
LogP3.12
Rot. Bonds4

About 4-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carboxamide

4-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carboxamide (PubChem CID 46673692) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carboxamide
PubChem CID46673692
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC Name4-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C19H22ClN3O3S/c1-15(16-5-3-2-4-6-16)21-19(24)22-11-13-23(14-12-22)27(25,26)18-9-7-17(20)8-10-18/h2-10,15H,11-14H2,1H3,(H,21,24)
InChIKeyRRHDEIGFYIIIGD-UHFFFAOYSA-N
XLogP3.12
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzenesulfonyl)-N-[(S)-(4-chlorophenyl)-cyclopropylmethyl]piperazine-1-carboxamide
CID 41200236
N-tert-butyl-4-(4-chlorophenyl)sulfonylpiperazine-1-carboxamide
CID 110811078
4-(3-chlorophenyl)sulfonyl-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide
CID 41287111
4-(benzenesulfonyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110811945
4-(benzenesulfonyl)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperazine-1-carboxamide
CID 25494880
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 26202318
2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8743426
4-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-pyridin-4-ylethyl]piperazine-1-carboxamide
CID 33433764
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
2-chloro-N-[(1S)-1-phenylethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 51421106
N-[(1S)-1-phenylethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide
CID 102420042
N-(1-phenylethyl)piperazine-1-carboxamide
CID 22011928

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carboxamide (CID 46673692) is 4-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carboxamide is CC(NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carboxamide?
The InChIKey is RRHDEIGFYIIIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c1-15(16-5-3-2-4-6-16)21-19(24)22-11-13-23(14-12-22)27(25,26)18-9-7-17(20)8-10-18/h2-10,15H,11-14H2,1H3,(H,21,24).
What are the key properties of 4-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carboxamide?
4-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carboxamide has a molecular weight of 407.92 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 46673692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).