4-(methylcarbamoylamino)benzenesulfonic acid

C8H10N2O4S — CID 58709255

IUPAC4-(methylcarbamoylamino)benzenesulfonic acid
SMILESCNC(=O)Nc1ccc(S(=O)(=O)O)cc1
InChIInChI=1S/C8H10N2O4S/c1-9-8(11)10-6-2-4-7(5-3-6)15(12,13)14/h2-5H,1H3,(H2,9,10,11)(H,12,13,14)
InChIKeyMBUYMBPDUDMFDH-UHFFFAOYSA-N
MW230.25 g/mol
LogP0.68
Rot. Bonds2

About 4-(methylcarbamoylamino)benzenesulfonic acid

4-(methylcarbamoylamino)benzenesulfonic acid (PubChem CID 58709255) has the molecular formula C8H10N2O4S and a molecular weight of 230.25 g/mol. Its IUPAC name is 4-(methylcarbamoylamino)benzenesulfonic acid.

Molecular Properties

Compound Name4-(methylcarbamoylamino)benzenesulfonic acid
PubChem CID58709255
Molecular FormulaC8H10N2O4S
Molecular Weight230.25 g/mol
Exact Mass230.04
IUPAC Name4-(methylcarbamoylamino)benzenesulfonic acid
SMILESCNC(=O)Nc1ccc(S(=O)(=O)O)cc1
InChIInChI=1S/C8H10N2O4S/c1-9-8(11)10-6-2-4-7(5-3-6)15(12,13)14/h2-5H,1H3,(H2,9,10,11)(H,12,13,14)
InChIKeyMBUYMBPDUDMFDH-UHFFFAOYSA-N
XLogP0.68
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-acetamidobenzenesulfonic acid chloride
CID 53446633
Sodium 4-sulfophenylurea
CID 87590877
4-(ethanethioylamino)benzenesulfonic acid
CID 22955667
4-[[(E)-but-1-enyl]carbamoylamino]benzenesulfonic acid
CID 108910506
4-[(2-hydroxyphenyl)carbamoylamino]benzenesulfonic acid
CID 108871359
4-[8-(ethylcarbamoylamino)octylcarbamoylamino]benzenesulfonic acid
CID 163717383
4-[(4-methylphenyl)methylcarbamoylamino]benzenesulfonic acid
CID 108899031
4-[(3-chlorophenyl)carbamoylamino]benzenesulfonic acid
CID 108869978
1-methyl-3-(4-methylphenyl)urea;molecular hydrogen
CID 142308386
1-methyl-3-[4-(5-sulfamoylthiophen-2-yl)sulfonylphenyl]urea
CID 76852481
4-(benzhydrylcarbamoylamino)benzenesulfonic acid
CID 108867379
4-(ethylsulfamoyl)-N-[4-(methylcarbamoylamino)phenyl]benzamide
CID 46518600

Frequently Asked Questions

What is the IUPAC name of 4-(methylcarbamoylamino)benzenesulfonic acid?
The IUPAC name of 4-(methylcarbamoylamino)benzenesulfonic acid (CID 58709255) is 4-(methylcarbamoylamino)benzenesulfonic acid.
What is the SMILES notation for 4-(methylcarbamoylamino)benzenesulfonic acid?
The canonical SMILES for 4-(methylcarbamoylamino)benzenesulfonic acid is CNC(=O)Nc1ccc(S(=O)(=O)O)cc1.
What is the InChIKey of 4-(methylcarbamoylamino)benzenesulfonic acid?
The InChIKey is MBUYMBPDUDMFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c1-9-8(11)10-6-2-4-7(5-3-6)15(12,13)14/h2-5H,1H3,(H2,9,10,11)(H,12,13,14).
What are the key properties of 4-(methylcarbamoylamino)benzenesulfonic acid?
4-(methylcarbamoylamino)benzenesulfonic acid has a molecular weight of 230.25 g/mol, XLogP of 0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylcarbamoylamino)benzenesulfonic acid is sourced from PubChem (CID 58709255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).