1-(4-nitrophenyl)-3-(3-sulfamoylpropyl)urea

C10H14N4O5S — CID 61131418

IUPAC1-(4-nitrophenyl)-3-(3-sulfamoylpropyl)urea
SMILESNS(=O)(=O)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H14N4O5S/c11-20(18,19)7-1-6-12-10(15)13-8-2-4-9(5-3-8)14(16)17/h2-5H,1,6-7H2,(H2,11,18,19)(H2,12,13,15)
InChIKeyLGVAHRWCUKGGFB-UHFFFAOYSA-N
MW302.31 g/mol
LogP0.39
Rot. Bonds6

About 1-(4-nitrophenyl)-3-(3-sulfamoylpropyl)urea

1-(4-nitrophenyl)-3-(3-sulfamoylpropyl)urea (PubChem CID 61131418) has the molecular formula C10H14N4O5S and a molecular weight of 302.31 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-3-(3-sulfamoylpropyl)urea.

Molecular Properties

Compound Name1-(4-nitrophenyl)-3-(3-sulfamoylpropyl)urea
PubChem CID61131418
Molecular FormulaC10H14N4O5S
Molecular Weight302.31 g/mol
Exact Mass302.07
IUPAC Name1-(4-nitrophenyl)-3-(3-sulfamoylpropyl)urea
SMILESNS(=O)(=O)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H14N4O5S/c11-20(18,19)7-1-6-12-10(15)13-8-2-4-9(5-3-8)14(16)17/h2-5H,1,6-7H2,(H2,11,18,19)(H2,12,13,15)
InChIKeyLGVAHRWCUKGGFB-UHFFFAOYSA-N
XLogP0.39
TPSA144.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-nitrophenyl)-3-[6-[(4-nitrophenyl)carbamoylamino]hexyl]urea
CID 136817257
1-(3-nitrophenyl)-3-(3-sulfamoylpropyl)urea
CID 61131314
1-[3-(methylamino)propyl]-3-(4-nitrophenyl)urea
CID 43602363
1-(4-methylphenyl)-3-(3-sulfamoylpropyl)urea
CID 61131417
1-[3-(cyclopropylamino)propyl]-3-(4-nitrophenyl)urea
CID 43596866
1-(4-azidobutyl)-3-(4-nitrophenyl)urea
CID 106386947
1-(4-nitrophenyl)-3-[2-[2-[2-[2-[(4-nitrophenyl)carbamoylamino]ethoxy]ethoxy]ethoxy]ethyl]urea
CID 21205277
1-(4-nitrophenyl)-3-(3-phenoxypropyl)urea
CID 108883092
1-(4-cyclohexylbutyl)-3-(4-nitrophenyl)urea
CID 141077203
1-[3-(2-methylpropoxy)propyl]-3-(4-nitrophenyl)urea
CID 46493828
1-(4-nitrophenyl)-3-[3-(1H-1,2,4-triazol-5-yl)propyl]urea
CID 64529660
2-methoxy-4-nitro-N-(3-sulfamoylpropyl)benzamide
CID 104783902

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-3-(3-sulfamoylpropyl)urea?
The IUPAC name of 1-(4-nitrophenyl)-3-(3-sulfamoylpropyl)urea (CID 61131418) is 1-(4-nitrophenyl)-3-(3-sulfamoylpropyl)urea.
What is the SMILES notation for 1-(4-nitrophenyl)-3-(3-sulfamoylpropyl)urea?
The canonical SMILES for 1-(4-nitrophenyl)-3-(3-sulfamoylpropyl)urea is NS(=O)(=O)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(4-nitrophenyl)-3-(3-sulfamoylpropyl)urea?
The InChIKey is LGVAHRWCUKGGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O5S/c11-20(18,19)7-1-6-12-10(15)13-8-2-4-9(5-3-8)14(16)17/h2-5H,1,6-7H2,(H2,11,18,19)(H2,12,13,15).
What are the key properties of 1-(4-nitrophenyl)-3-(3-sulfamoylpropyl)urea?
1-(4-nitrophenyl)-3-(3-sulfamoylpropyl)urea has a molecular weight of 302.31 g/mol, XLogP of 0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-3-(3-sulfamoylpropyl)urea is sourced from PubChem (CID 61131418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).