[(2,4-dimethoxyphenyl)sulfonylamino]urea

C9H13N3O5S — CID 140662030

IUPAC[(2,4-dimethoxyphenyl)sulfonylamino]urea
SMILESCOc1ccc(S(=O)(=O)NNC(N)=O)c(OC)c1
InChIInChI=1S/C9H13N3O5S/c1-16-6-3-4-8(7(5-6)17-2)18(14,15)12-11-9(10)13/h3-5,12H,1-2H3,(H3,10,11,13)
InChIKeyWKBKAZONXNSPIE-UHFFFAOYSA-N
MW275.29 g/mol
LogP-0.43
Rot. Bonds5

About [(2,4-dimethoxyphenyl)sulfonylamino]urea

[(2,4-dimethoxyphenyl)sulfonylamino]urea (PubChem CID 140662030) has the molecular formula C9H13N3O5S and a molecular weight of 275.29 g/mol. Its IUPAC name is [(2,4-dimethoxyphenyl)sulfonylamino]urea.

Molecular Properties

Compound Name[(2,4-dimethoxyphenyl)sulfonylamino]urea
PubChem CID140662030
Molecular FormulaC9H13N3O5S
Molecular Weight275.29 g/mol
Exact Mass275.06
IUPAC Name[(2,4-dimethoxyphenyl)sulfonylamino]urea
SMILESCOc1ccc(S(=O)(=O)NNC(N)=O)c(OC)c1
InChIInChI=1S/C9H13N3O5S/c1-16-6-3-4-8(7(5-6)17-2)18(14,15)12-11-9(10)13/h3-5,12H,1-2H3,(H3,10,11,13)
InChIKeyWKBKAZONXNSPIE-UHFFFAOYSA-N
XLogP-0.43
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,4-dimethoxyphenyl)sulfonylamino]oxyacetamide
CID 112673485
methyl N-[(2,5-dimethoxyphenyl)sulfonylamino]carbamate
CID 8501055
N'-(2,5-dimethoxyphenyl)sulfonylacetohydrazide
CID 8500750
2-(2,4-dimethoxyphenyl)sulfonylpropan-2-ol
CID 117037282
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzenesulfonamide
CID 103931277
N-[4-[(2,4-dimethoxyphenyl)sulfonylamino]phenyl]acetamide
CID 22774828
N-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide
CID 43602608
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
2-[2-[(2,4-dimethoxyphenyl)sulfonylamino]ethoxy]acetic acid
CID 79469582
N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide
CID 103918378
2-[(2,4-dimethoxyphenyl)sulfonylamino]pentanoic acid
CID 43631181

Frequently Asked Questions

What is the IUPAC name of [(2,4-dimethoxyphenyl)sulfonylamino]urea?
The IUPAC name of [(2,4-dimethoxyphenyl)sulfonylamino]urea (CID 140662030) is [(2,4-dimethoxyphenyl)sulfonylamino]urea.
What is the SMILES notation for [(2,4-dimethoxyphenyl)sulfonylamino]urea?
The canonical SMILES for [(2,4-dimethoxyphenyl)sulfonylamino]urea is COc1ccc(S(=O)(=O)NNC(N)=O)c(OC)c1.
What is the InChIKey of [(2,4-dimethoxyphenyl)sulfonylamino]urea?
The InChIKey is WKBKAZONXNSPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5S/c1-16-6-3-4-8(7(5-6)17-2)18(14,15)12-11-9(10)13/h3-5,12H,1-2H3,(H3,10,11,13).
What are the key properties of [(2,4-dimethoxyphenyl)sulfonylamino]urea?
[(2,4-dimethoxyphenyl)sulfonylamino]urea has a molecular weight of 275.29 g/mol, XLogP of -0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,4-dimethoxyphenyl)sulfonylamino]urea is sourced from PubChem (CID 140662030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).