1,1-dimethyl-3-(4-sulfamoylphenyl)urea

C9H13N3O3S — CID 768103

IUPAC1,1-dimethyl-3-(4-sulfamoylphenyl)urea
SMILESCN(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H13N3O3S/c1-12(2)9(13)11-7-3-5-8(6-4-7)16(10,14)15/h3-6H,1-2H3,(H,11,13)(H2,10,14,15)
InChIKeyKPUDJXHGYZUZLT-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.43
Rot. Bonds2

About 1,1-dimethyl-3-(4-sulfamoylphenyl)urea

1,1-dimethyl-3-(4-sulfamoylphenyl)urea (PubChem CID 768103) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 1,1-dimethyl-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(4-sulfamoylphenyl)urea
PubChem CID768103
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name1,1-dimethyl-3-(4-sulfamoylphenyl)urea
SMILESCN(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H13N3O3S/c1-12(2)9(13)11-7-3-5-8(6-4-7)16(10,14)15/h3-6H,1-2H3,(H,11,13)(H2,10,14,15)
InChIKeyKPUDJXHGYZUZLT-UHFFFAOYSA-N
XLogP0.43
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Slc-0111
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4-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione
CID 11615432
3-(3-Phenyl-ureido)-benzenesulfonamide
CID 2812287
4-[(Anilinocarbonyl)amino]benzenesulfonamide
CID 306924
Carbasulam
CID 15679
N-[4-(hydroxysulfamoyl)phenyl]acetamide
CID 283995
N-(4-sulfamoylphenyl)propanamide
CID 847760
2,2-dimethyl-N-(4-sulfamoylphenyl)propanamide
CID 2725651
4-Amino-N-[(2-sulfanylethyl)carbamoyl]benzenesulfonamide
CID 24856357

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1,1-dimethyl-3-(4-sulfamoylphenyl)urea (CID 768103) is 1,1-dimethyl-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1,1-dimethyl-3-(4-sulfamoylphenyl)urea is CN(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1,1-dimethyl-3-(4-sulfamoylphenyl)urea?
The InChIKey is KPUDJXHGYZUZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-12(2)9(13)11-7-3-5-8(6-4-7)16(10,14)15/h3-6H,1-2H3,(H,11,13)(H2,10,14,15).
What are the key properties of 1,1-dimethyl-3-(4-sulfamoylphenyl)urea?
1,1-dimethyl-3-(4-sulfamoylphenyl)urea has a molecular weight of 243.29 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 768103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).