1-(2-nitrophenyl)-3-sulfonylurea

C7H5N3O5S — CID 87460922

IUPAC1-(2-nitrophenyl)-3-sulfonylurea
SMILESO=C(N=S(=O)=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C7H5N3O5S/c11-7(9-16(14)15)8-5-3-1-2-4-6(5)10(12)13/h1-4H,(H,8,11)
InChIKeyPGCXFVKIYUJIAH-UHFFFAOYSA-N
MW243.20 g/mol
LogP1.19
Rot. Bonds2

About 1-(2-nitrophenyl)-3-sulfonylurea

1-(2-nitrophenyl)-3-sulfonylurea (PubChem CID 87460922) has the molecular formula C7H5N3O5S and a molecular weight of 243.20 g/mol. Its IUPAC name is 1-(2-nitrophenyl)-3-sulfonylurea.

Molecular Properties

Compound Name1-(2-nitrophenyl)-3-sulfonylurea
PubChem CID87460922
Molecular FormulaC7H5N3O5S
Molecular Weight243.20 g/mol
Exact Mass242.99
IUPAC Name1-(2-nitrophenyl)-3-sulfonylurea
SMILESO=C(N=S(=O)=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C7H5N3O5S/c11-7(9-16(14)15)8-5-3-1-2-4-6(5)10(12)13/h1-4H,(H,8,11)
InChIKeyPGCXFVKIYUJIAH-UHFFFAOYSA-N
XLogP1.19
TPSA118.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.20
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-nitrophenyl)benzamide;2-oxo-2-(sulfonylamino)acetic acid
CID 159771520
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
1-(2-nitrophenyl)-3-phenylurea
CID 4109613
2-bromoacetyl bromide;2-bromo-N-(2-nitrophenyl)acetamide
CID 158137216
1-benzamido-3-(2-nitrophenyl)urea
CID 91390180
3-chloro-N-(2-nitrophenyl)propanamide
CID 4318991
4-iodo-N-(2-nitrophenyl)benzamide
CID 2889506
1-methoxy-3-(2-nitrophenyl)urea
CID 5118632
prop-2-enyl N-(2-nitrophenyl)carbamate
CID 127503250
2-nitro-N-[(E)-[(2Z)-2-[(2-nitrophenyl)hydrazinylidene]ethylidene]amino]aniline
CID 27137964
3-hydroxy-N-(2-nitrophenyl)naphthalene-1-carboxamide
CID 139771918
2-cyano-N-(2-nitrophenyl)acetamide
CID 2792625

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)-3-sulfonylurea?
The IUPAC name of 1-(2-nitrophenyl)-3-sulfonylurea (CID 87460922) is 1-(2-nitrophenyl)-3-sulfonylurea.
What is the SMILES notation for 1-(2-nitrophenyl)-3-sulfonylurea?
The canonical SMILES for 1-(2-nitrophenyl)-3-sulfonylurea is O=C(N=S(=O)=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-nitrophenyl)-3-sulfonylurea?
The InChIKey is PGCXFVKIYUJIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O5S/c11-7(9-16(14)15)8-5-3-1-2-4-6(5)10(12)13/h1-4H,(H,8,11).
What are the key properties of 1-(2-nitrophenyl)-3-sulfonylurea?
1-(2-nitrophenyl)-3-sulfonylurea has a molecular weight of 243.20 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)-3-sulfonylurea is sourced from PubChem (CID 87460922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).