4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide

C18H21N3O4S — CID 51515803

IUPAC4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C18H21N3O4S/c1-25-16-7-5-6-15(14-16)19-18(22)20-10-12-21(13-11-20)26(23,24)17-8-3-2-4-9-17/h2-9,14H,10-13H2,1H3,(H,19,22)
InChIKeyWSYOAOLOBBICPN-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.23
Rot. Bonds4

About 4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide

4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 51515803) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
PubChem CID51515803
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C18H21N3O4S/c1-25-16-7-5-6-15(14-16)19-18(22)20-10-12-21(13-11-20)26(23,24)17-8-3-2-4-9-17/h2-9,14H,10-13H2,1H3,(H,19,22)
InChIKeyWSYOAOLOBBICPN-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

4-(4-methoxyphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide
CID 110637834
N-(3-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 61321561
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 90589407
N-(3-methoxyphenyl)-4-(2-nitrophenyl)sulfonylpiperazine-1-carboxamide
CID 55517694
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 4796543
N-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6470039
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methoxyphenyl)benzamide
CID 19257253
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(3-methoxyphenyl)acetamide
CID 110356021
1,4-bis(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-2-carboxamide
CID 2864807
N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6468041
4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113110333

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide (CID 51515803) is 4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide is COc1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1.
What is the InChIKey of 4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is WSYOAOLOBBICPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-25-16-7-5-6-15(14-16)19-18(22)20-10-12-21(13-11-20)26(23,24)17-8-3-2-4-9-17/h2-9,14H,10-13H2,1H3,(H,19,22).
What are the key properties of 4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide?
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-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-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 51515803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).