[(4-nitrophenyl)sulfonylamino]carbamic acid

C7H7N3O6S — CID 170161166

IUPAC[(4-nitrophenyl)sulfonylamino]carbamic acid
SMILESO=C(O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H7N3O6S/c11-7(12)8-9-17(15,16)6-3-1-5(2-4-6)10(13)14/h1-4,8-9H,(H,11,12)
InChIKeyBTLMXFKQRINCFS-UHFFFAOYSA-N
MW261.22 g/mol
LogP0.06
Rot. Bonds4

About [(4-nitrophenyl)sulfonylamino]carbamic acid

[(4-nitrophenyl)sulfonylamino]carbamic acid (PubChem CID 170161166) has the molecular formula C7H7N3O6S and a molecular weight of 261.22 g/mol. Its IUPAC name is [(4-nitrophenyl)sulfonylamino]carbamic acid.

Molecular Properties

Compound Name[(4-nitrophenyl)sulfonylamino]carbamic acid
PubChem CID170161166
Molecular FormulaC7H7N3O6S
Molecular Weight261.22 g/mol
Exact Mass261.01
IUPAC Name[(4-nitrophenyl)sulfonylamino]carbamic acid
SMILESO=C(O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H7N3O6S/c11-7(12)8-9-17(15,16)6-3-1-5(2-4-6)10(13)14/h1-4,8-9H,(H,11,12)
InChIKeyBTLMXFKQRINCFS-UHFFFAOYSA-N
XLogP0.06
TPSA138.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 50.06
H-Bond Donors ≤ 53
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

2-(4-nitrophenoxy)-N'-(4-nitrophenyl)sulfonylacetohydrazide
CID 19166679
2-methyl-N'-(4-nitrophenyl)sulfonylfuran-3-carbohydrazide
CID 807989
3-methyl-N'-(4-nitrophenyl)sulfonylbenzohydrazide
CID 19167027
3-hydroxy-N'-(4-nitrophenyl)sulfonylbenzohydrazide
CID 1129573
N'-(4-nitrophenyl)sulfonylpyridine-2-carbohydrazide
CID 17368436
[(2S,3S)-3-[(4-nitrophenyl)sulfonylamino]butan-2-yl]carbamic acid
CID 146597125
CID 87359197
CID 87359197
1-(4-methylphenyl)sulfonyl-3-(4-nitrophenyl)urea
CID 4604602
1-[(4-nitrophenyl)sulfonylamino]cyclopropane-1-carboxylic acid
CID 60728998
4-nitro-N-(2,3,4,5,6-pentamethylphenyl)benzenesulfonamide
CID 101434436
methyl N-[(4-nitrophenyl)sulfonylcarbamoyl]carbamate
CID 23049624
3-hydroxy-2-[(4-nitrophenyl)sulfonylamino]propanoic acid
CID 16782521

Frequently Asked Questions

What is the IUPAC name of [(4-nitrophenyl)sulfonylamino]carbamic acid?
The IUPAC name of [(4-nitrophenyl)sulfonylamino]carbamic acid (CID 170161166) is [(4-nitrophenyl)sulfonylamino]carbamic acid.
What is the SMILES notation for [(4-nitrophenyl)sulfonylamino]carbamic acid?
The canonical SMILES for [(4-nitrophenyl)sulfonylamino]carbamic acid is O=C(O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of [(4-nitrophenyl)sulfonylamino]carbamic acid?
The InChIKey is BTLMXFKQRINCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O6S/c11-7(12)8-9-17(15,16)6-3-1-5(2-4-6)10(13)14/h1-4,8-9H,(H,11,12).
What are the key properties of [(4-nitrophenyl)sulfonylamino]carbamic acid?
[(4-nitrophenyl)sulfonylamino]carbamic acid has a molecular weight of 261.22 g/mol, XLogP of 0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-nitrophenyl)sulfonylamino]carbamic acid is sourced from PubChem (CID 170161166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).