2-[(3-aminophenyl)sulfonylamino]ethylurea

C9H14N4O3S — CID 83116064

IUPAC2-[(3-aminophenyl)sulfonylamino]ethylurea
SMILESNC(=O)NCCNS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C9H14N4O3S/c10-7-2-1-3-8(6-7)17(15,16)13-5-4-12-9(11)14/h1-3,6,13H,4-5,10H2,(H3,11,12,14)
InChIKeyZLMDUWWSXVPHSI-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.78
Rot. Bonds5

About 2-[(3-aminophenyl)sulfonylamino]ethylurea

2-[(3-aminophenyl)sulfonylamino]ethylurea (PubChem CID 83116064) has the molecular formula C9H14N4O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-[(3-aminophenyl)sulfonylamino]ethylurea.

Molecular Properties

Compound Name2-[(3-aminophenyl)sulfonylamino]ethylurea
PubChem CID83116064
Molecular FormulaC9H14N4O3S
Molecular Weight258.30 g/mol
Exact Mass258.08
IUPAC Name2-[(3-aminophenyl)sulfonylamino]ethylurea
SMILESNC(=O)NCCNS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C9H14N4O3S/c10-7-2-1-3-8(6-7)17(15,16)13-5-4-12-9(11)14/h1-3,6,13H,4-5,10H2,(H3,11,12,14)
InChIKeyZLMDUWWSXVPHSI-UHFFFAOYSA-N
XLogP-0.78
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(3-aminophenyl)sulfonylamino]ethyl carbamate
CID 83202632
2-[[3-(aminomethyl)phenyl]sulfonylamino]ethylurea
CID 83116227
methyl 3-[(3-aminophenyl)sulfonylamino]propanoate
CID 43665916
2-[[3-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]ethylurea
CID 83115510
4-[(3-aminophenyl)sulfonylamino]-2,2-dimethylbutanoic acid
CID 122126369
3-amino-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63983724
tert-butyl 3-[(3-aminophenyl)sulfonylamino]propanoate
CID 70153486
3-amino-N-(3-cyclopropylpropyl)benzenesulfonamide
CID 113498451
2-[(4-amino-3-nitrophenyl)sulfonylamino]ethylurea
CID 83115528
2-[(4-fluorophenyl)sulfonylamino]ethylurea
CID 78994332
2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethylurea
CID 83115293
3-amino-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 4713669

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)sulfonylamino]ethylurea?
The IUPAC name of 2-[(3-aminophenyl)sulfonylamino]ethylurea (CID 83116064) is 2-[(3-aminophenyl)sulfonylamino]ethylurea.
What is the SMILES notation for 2-[(3-aminophenyl)sulfonylamino]ethylurea?
The canonical SMILES for 2-[(3-aminophenyl)sulfonylamino]ethylurea is NC(=O)NCCNS(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 2-[(3-aminophenyl)sulfonylamino]ethylurea?
The InChIKey is ZLMDUWWSXVPHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3S/c10-7-2-1-3-8(6-7)17(15,16)13-5-4-12-9(11)14/h1-3,6,13H,4-5,10H2,(H3,11,12,14).
What are the key properties of 2-[(3-aminophenyl)sulfonylamino]ethylurea?
2-[(3-aminophenyl)sulfonylamino]ethylurea has a molecular weight of 258.30 g/mol, XLogP of -0.78, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)sulfonylamino]ethylurea is sourced from PubChem (CID 83116064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).