4-(4-methoxyphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide

C18H21N3O4S — CID 110637834

IUPAC4-(4-methoxyphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C18H21N3O4S/c1-25-16-7-9-17(10-8-16)26(23,24)21-13-11-20(12-14-21)18(22)19-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,19,22)
InChIKeyHETVKHNWRILLNH-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.23
Rot. Bonds4

About 4-(4-methoxyphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide

4-(4-methoxyphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide (PubChem CID 110637834) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide
PubChem CID110637834
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name4-(4-methoxyphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C18H21N3O4S/c1-25-16-7-9-17(10-8-16)26(23,24)21-13-11-20(12-14-21)18(22)19-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,19,22)
InChIKeyHETVKHNWRILLNH-UHFFFAOYSA-N
XLogP2.23
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6470039
N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6468041
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 51515803
4-(3,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 46457488
N-(2-ethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6467053
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1148025
N-(4-methoxyphenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carboxamide
CID 30938051
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 1094963
4-(1-methylindol-5-yl)sulfonyl-N-phenylpiperazine-1-carboxamide
CID 50744365
4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-N-phenylbenzamide
CID 71903002
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 26868880
N-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide
CID 43001394

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide (CID 110637834) is 4-(4-methoxyphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide is COc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide?
The InChIKey is HETVKHNWRILLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-25-16-7-9-17(10-8-16)26(23,24)21-13-11-20(12-14-21)18(22)19-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,19,22).
What are the key properties of 4-(4-methoxyphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide?
4-(4-methoxyphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 110637834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).