1-(4-piperidin-1-ylphenyl)-3-(3-sulfamoylphenyl)urea

C18H22N4O3S — CID 71896243

IUPAC1-(4-piperidin-1-ylphenyl)-3-(3-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1cccc(NC(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C18H22N4O3S/c19-26(24,25)17-6-4-5-15(13-17)21-18(23)20-14-7-9-16(10-8-14)22-11-2-1-3-12-22/h4-10,13H,1-3,11-12H2,(H2,19,24,25)(H2,20,21,23)
InChIKeyTXHLNFHUOHVUJU-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.97
Rot. Bonds4

About 1-(4-piperidin-1-ylphenyl)-3-(3-sulfamoylphenyl)urea

1-(4-piperidin-1-ylphenyl)-3-(3-sulfamoylphenyl)urea (PubChem CID 71896243) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 1-(4-piperidin-1-ylphenyl)-3-(3-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(4-piperidin-1-ylphenyl)-3-(3-sulfamoylphenyl)urea
PubChem CID71896243
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name1-(4-piperidin-1-ylphenyl)-3-(3-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1cccc(NC(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C18H22N4O3S/c19-26(24,25)17-6-4-5-15(13-17)21-18(23)20-14-7-9-16(10-8-14)22-11-2-1-3-12-22/h4-10,13H,1-3,11-12H2,(H2,19,24,25)(H2,20,21,23)
InChIKeyTXHLNFHUOHVUJU-UHFFFAOYSA-N
XLogP2.97
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-piperidin-1-ylphenyl)-4-sulfamoylbenzamide
CID 26654878
1-(4-piperidin-1-ylphenyl)-3-pyridin-4-ylurea
CID 110706498
3-(4-pyrrolidin-1-ylphenyl)sulfonylbenzenesulfonamide
CID 91221718
(2R)-2-(azepan-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 41023511
N-(3-sulfamoylphenyl)cycloheptanecarboxamide
CID 62590757
1-(3,5-dichlorophenyl)-3-(4-piperidin-1-ylphenyl)urea
CID 108992520
1-(4-bromo-3-methylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108992487
(2S)-2-(4-phenylpiperazin-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 9250166
N'-(3-methylphenyl)-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108953051
N-[3-[1-[(4-piperidin-1-ylphenyl)carbamoylamino]ethyl]phenyl]acetamide
CID 55696566
1-(4-piperidin-1-ylphenyl)-3-thiophen-2-ylurea
CID 108889200
2-(azepan-1-yl)-6-chloro-4-methyl-N-(3-sulfamoylphenyl)pyridine-3-carboxamide
CID 150900428

Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-1-ylphenyl)-3-(3-sulfamoylphenyl)urea?
The IUPAC name of 1-(4-piperidin-1-ylphenyl)-3-(3-sulfamoylphenyl)urea (CID 71896243) is 1-(4-piperidin-1-ylphenyl)-3-(3-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(4-piperidin-1-ylphenyl)-3-(3-sulfamoylphenyl)urea?
The canonical SMILES for 1-(4-piperidin-1-ylphenyl)-3-(3-sulfamoylphenyl)urea is NS(=O)(=O)c1cccc(NC(=O)Nc2ccc(N3CCCCC3)cc2)c1.
What is the InChIKey of 1-(4-piperidin-1-ylphenyl)-3-(3-sulfamoylphenyl)urea?
The InChIKey is TXHLNFHUOHVUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c19-26(24,25)17-6-4-5-15(13-17)21-18(23)20-14-7-9-16(10-8-14)22-11-2-1-3-12-22/h4-10,13H,1-3,11-12H2,(H2,19,24,25)(H2,20,21,23).
What are the key properties of 1-(4-piperidin-1-ylphenyl)-3-(3-sulfamoylphenyl)urea?
1-(4-piperidin-1-ylphenyl)-3-(3-sulfamoylphenyl)urea has a molecular weight of 374.47 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-1-ylphenyl)-3-(3-sulfamoylphenyl)urea is sourced from PubChem (CID 71896243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).