(3-methoxy-4-sulfamoylphenyl)thiourea

C8H11N3O3S2 — CID 169359137

IUPAC(3-methoxy-4-sulfamoylphenyl)thiourea
SMILESCOc1cc(NC(N)=S)ccc1S(N)(=O)=O
InChIInChI=1S/C8H11N3O3S2/c1-14-6-4-5(11-8(9)15)2-3-7(6)16(10,12)13/h2-4H,1H3,(H3,9,11,15)(H2,10,12,13)
InChIKeyOXQRZFBAQCPHQO-UHFFFAOYSA-N
MW261.33 g/mol
LogP-0.00
Rot. Bonds3

About (3-methoxy-4-sulfamoylphenyl)thiourea

(3-methoxy-4-sulfamoylphenyl)thiourea (PubChem CID 169359137) has the molecular formula C8H11N3O3S2 and a molecular weight of 261.33 g/mol. Its IUPAC name is (3-methoxy-4-sulfamoylphenyl)thiourea.

Molecular Properties

Compound Name(3-methoxy-4-sulfamoylphenyl)thiourea
PubChem CID169359137
Molecular FormulaC8H11N3O3S2
Molecular Weight261.33 g/mol
Exact Mass261.02
IUPAC Name(3-methoxy-4-sulfamoylphenyl)thiourea
SMILESCOc1cc(NC(N)=S)ccc1S(N)(=O)=O
InChIInChI=1S/C8H11N3O3S2/c1-14-6-4-5(11-8(9)15)2-3-7(6)16(10,12)13/h2-4H,1H3,(H3,9,11,15)(H2,10,12,13)
InChIKeyOXQRZFBAQCPHQO-UHFFFAOYSA-N
XLogP-0.00
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-hydroxy-3-methoxyphenyl)thiourea
CID 57183601
N-(3-methoxy-4-sulfamoylphenyl)-2,2-dimethylbutanamide
CID 62677873
N-(3-methoxy-4-sulfamoylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949404
3-hydroxy-N-(3-methoxy-4-sulfamoylphenyl)pyridine-2-carboxamide
CID 167828316
4-(difluoromethylsulfonylamino)-2-methoxybenzenesulfonamide
CID 43246875
N-(4-methoxy-3-sulfamoylphenyl)-2,2-dimethylpropanamide
CID 43082414
4-bromo-2-methoxybenzenesulfonamide
CID 21129172
4-chloro-N-(3,4-dimethoxyphenyl)-3-sulfamoylbenzamide
CID 26695102
(3,4,5-trimethoxyphenyl)thiourea
CID 2760811
N-[4-(carbamothioylamino)-2-methoxyphenyl]-2-methylpropanamide
CID 50882114
CID 88555141
CID 88555141
(3,4-dimethoxyphenyl)urea
CID 21197430

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-sulfamoylphenyl)thiourea?
The IUPAC name of (3-methoxy-4-sulfamoylphenyl)thiourea (CID 169359137) is (3-methoxy-4-sulfamoylphenyl)thiourea.
What is the SMILES notation for (3-methoxy-4-sulfamoylphenyl)thiourea?
The canonical SMILES for (3-methoxy-4-sulfamoylphenyl)thiourea is COc1cc(NC(N)=S)ccc1S(N)(=O)=O.
What is the InChIKey of (3-methoxy-4-sulfamoylphenyl)thiourea?
The InChIKey is OXQRZFBAQCPHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S2/c1-14-6-4-5(11-8(9)15)2-3-7(6)16(10,12)13/h2-4H,1H3,(H3,9,11,15)(H2,10,12,13).
What are the key properties of (3-methoxy-4-sulfamoylphenyl)thiourea?
(3-methoxy-4-sulfamoylphenyl)thiourea has a molecular weight of 261.33 g/mol, XLogP of -0.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-sulfamoylphenyl)thiourea is sourced from PubChem (CID 169359137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).