[4-[(4-phenylpiperazine-1-carbonyl)amino]phenyl] sulfamate

C17H20N4O4S — CID 122184985

IUPAC[4-[(4-phenylpiperazine-1-carbonyl)amino]phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C17H20N4O4S/c18-26(23,24)25-16-8-6-14(7-9-16)19-17(22)21-12-10-20(11-13-21)15-4-2-1-3-5-15/h1-9H,10-13H2,(H,19,22)(H2,18,23,24)
InChIKeySBPYCGVXRUWAID-UHFFFAOYSA-N
MW376.44 g/mol
LogP1.62
Rot. Bonds4

About [4-[(4-phenylpiperazine-1-carbonyl)amino]phenyl] sulfamate

[4-[(4-phenylpiperazine-1-carbonyl)amino]phenyl] sulfamate (PubChem CID 122184985) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is [4-[(4-phenylpiperazine-1-carbonyl)amino]phenyl] sulfamate.

Molecular Properties

Compound Name[4-[(4-phenylpiperazine-1-carbonyl)amino]phenyl] sulfamate
PubChem CID122184985
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC Name[4-[(4-phenylpiperazine-1-carbonyl)amino]phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C17H20N4O4S/c18-26(23,24)25-16-8-6-14(7-9-16)19-17(22)21-12-10-20(11-13-21)15-4-2-1-3-5-15/h1-9H,10-13H2,(H,19,22)(H2,18,23,24)
InChIKeySBPYCGVXRUWAID-UHFFFAOYSA-N
XLogP1.62
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(2,3,4,5,6-Pentafluorophenyl)carbamoylamino]phenyl] sulfamate
CID 60155120
[4-(2-Phenylethylcarbamoylamino)phenyl] sulfamate
CID 60155121
[4-[[4-(Dimethylamino)phenyl]carbamoylamino]phenyl] sulfamate
CID 60155123
Tert-butyl 4-[(4-sulfamoyloxyphenyl)carbamoylamino]piperidine-1-carboxylate
CID 70696646
[4-[(4-Methylphenyl)methylcarbamoylamino]phenyl] sulfamate
CID 70681986
[4-[(2,3,4-Trifluorophenyl)carbamoylamino]phenyl] sulfamate
CID 70684100
[4-[(4-Iodophenyl)carbamoylamino]phenyl] sulfamate
CID 70692549
[4-(Benzhydrylcarbamoylamino)phenyl] sulfamate
CID 70681987
[4-[(4-Benzylpiperazine-1-carbonyl)amino]phenyl] sulfamate
CID 122184984
[4-[[4-(3-Methylphenyl)piperazine-1-carbonyl]amino]phenyl] sulfamate
CID 122184988
[4-[[4-(2,3-Dimethylphenyl)piperazine-1-carbonyl]amino]phenyl] sulfamate
CID 122184989
N-cyclohexyl-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 757324

Frequently Asked Questions

What is the IUPAC name of [4-[(4-phenylpiperazine-1-carbonyl)amino]phenyl] sulfamate?
The IUPAC name of [4-[(4-phenylpiperazine-1-carbonyl)amino]phenyl] sulfamate (CID 122184985) is [4-[(4-phenylpiperazine-1-carbonyl)amino]phenyl] sulfamate.
What is the SMILES notation for [4-[(4-phenylpiperazine-1-carbonyl)amino]phenyl] sulfamate?
The canonical SMILES for [4-[(4-phenylpiperazine-1-carbonyl)amino]phenyl] sulfamate is NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of [4-[(4-phenylpiperazine-1-carbonyl)amino]phenyl] sulfamate?
The InChIKey is SBPYCGVXRUWAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c18-26(23,24)25-16-8-6-14(7-9-16)19-17(22)21-12-10-20(11-13-21)15-4-2-1-3-5-15/h1-9H,10-13H2,(H,19,22)(H2,18,23,24).
What are the key properties of [4-[(4-phenylpiperazine-1-carbonyl)amino]phenyl] sulfamate?
[4-[(4-phenylpiperazine-1-carbonyl)amino]phenyl] sulfamate has a molecular weight of 376.44 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-phenylpiperazine-1-carbonyl)amino]phenyl] sulfamate is sourced from PubChem (CID 122184985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).