1-cyclohexyl-3-(4-phenylpiperazin-1-yl)sulfonylurea

C17H26N4O3S — CID 134115013

IUPAC1-cyclohexyl-3-(4-phenylpiperazin-1-yl)sulfonylurea
SMILESO=C(NC1CCCCC1)NS(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H26N4O3S/c22-17(18-15-7-3-1-4-8-15)19-25(23,24)21-13-11-20(12-14-21)16-9-5-2-6-10-16/h2,5-6,9-10,15H,1,3-4,7-8,11-14H2,(H2,18,19,22)
InChIKeyNHZGRDFGLTWPEL-UHFFFAOYSA-N
MW366.49 g/mol
LogP1.69
Rot. Bonds4

About 1-cyclohexyl-3-(4-phenylpiperazin-1-yl)sulfonylurea

1-cyclohexyl-3-(4-phenylpiperazin-1-yl)sulfonylurea (PubChem CID 134115013) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-phenylpiperazin-1-yl)sulfonylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-phenylpiperazin-1-yl)sulfonylurea
PubChem CID134115013
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC Name1-cyclohexyl-3-(4-phenylpiperazin-1-yl)sulfonylurea
SMILESO=C(NC1CCCCC1)NS(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H26N4O3S/c22-17(18-15-7-3-1-4-8-15)19-25(23,24)21-13-11-20(12-14-21)16-9-5-2-6-10-16/h2,5-6,9-10,15H,1,3-4,7-8,11-14H2,(H2,18,19,22)
InChIKeyNHZGRDFGLTWPEL-UHFFFAOYSA-N
XLogP1.69
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
N-cyclooctyl-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 27375055
1-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-cyclohexylurea
CID 134117155
(2S)-N-(cyclopentylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250310
N'-cyclohexyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 42268287
1-cyclobutyl-3-[(1-phenylpiperidin-4-yl)methyl]urea
CID 141180797
1-cyclopentyl-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90545517
N-cyclopentyl-4-phenylpiperazine-1-carbothioamide
CID 892113
N-cyclopentyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109249567
1-(1-phenylpiperidin-4-yl)-3-(thietan-3-yl)urea
CID 136562095
N-cyclohexyl-3-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109052171
1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95312527

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-phenylpiperazin-1-yl)sulfonylurea?
The IUPAC name of 1-cyclohexyl-3-(4-phenylpiperazin-1-yl)sulfonylurea (CID 134115013) is 1-cyclohexyl-3-(4-phenylpiperazin-1-yl)sulfonylurea.
What is the SMILES notation for 1-cyclohexyl-3-(4-phenylpiperazin-1-yl)sulfonylurea?
The canonical SMILES for 1-cyclohexyl-3-(4-phenylpiperazin-1-yl)sulfonylurea is O=C(NC1CCCCC1)NS(=O)(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-cyclohexyl-3-(4-phenylpiperazin-1-yl)sulfonylurea?
The InChIKey is NHZGRDFGLTWPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S/c22-17(18-15-7-3-1-4-8-15)19-25(23,24)21-13-11-20(12-14-21)16-9-5-2-6-10-16/h2,5-6,9-10,15H,1,3-4,7-8,11-14H2,(H2,18,19,22).
What are the key properties of 1-cyclohexyl-3-(4-phenylpiperazin-1-yl)sulfonylurea?
1-cyclohexyl-3-(4-phenylpiperazin-1-yl)sulfonylurea has a molecular weight of 366.49 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-phenylpiperazin-1-yl)sulfonylurea is sourced from PubChem (CID 134115013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).