1-propan-2-yl-3-(2-sulfamoylphenyl)urea

C10H15N3O3S — CID 61131721

IUPAC1-propan-2-yl-3-(2-sulfamoylphenyl)urea
SMILESCC(C)NC(=O)Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C10H15N3O3S/c1-7(2)12-10(14)13-8-5-3-4-6-9(8)17(11,15)16/h3-7H,1-2H3,(H2,11,15,16)(H2,12,13,14)
InChIKeyIQLKFLYPNLYMOS-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.86
Rot. Bonds3

About 1-propan-2-yl-3-(2-sulfamoylphenyl)urea

1-propan-2-yl-3-(2-sulfamoylphenyl)urea (PubChem CID 61131721) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 1-propan-2-yl-3-(2-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-propan-2-yl-3-(2-sulfamoylphenyl)urea
PubChem CID61131721
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name1-propan-2-yl-3-(2-sulfamoylphenyl)urea
SMILESCC(C)NC(=O)Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C10H15N3O3S/c1-7(2)12-10(14)13-8-5-3-4-6-9(8)17(11,15)16/h3-7H,1-2H3,(H2,11,15,16)(H2,12,13,14)
InChIKeyIQLKFLYPNLYMOS-UHFFFAOYSA-N
XLogP0.86
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-oxo-3-(2-sulfamoylanilino)propanoic acid
CID 114898170
1-(2-chlorophenyl)-3-(2-sulfamoylphenyl)urea
CID 61131953
3-methyl-5-oxo-5-(2-sulfamoylanilino)pentanoic acid
CID 62964751
2-[(2-sulfamoylphenyl)carbamoyl]butanoic acid
CID 91215602
1-(2-methylsulfanylphenyl)-3-propan-2-ylurea
CID 23548353
2-(2-sulfamoylanilino)propanoic acid
CID 43468805
1-(2-chloroethyl)-3-(2-sulfamoylphenyl)urea
CID 14868379
1-[(4-methylphenyl)methyl]-3-(2-sulfamoylphenyl)urea
CID 20694113
1-(2-acetylphenyl)-3-propan-2-ylurea
CID 28738066
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
1,1-diphenyl-3-(2-sulfamoylphenyl)urea
CID 3622343
2-methyl-2-(methylamino)-N-(2-sulfamoylphenyl)propanamide
CID 62845991

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(2-sulfamoylphenyl)urea?
The IUPAC name of 1-propan-2-yl-3-(2-sulfamoylphenyl)urea (CID 61131721) is 1-propan-2-yl-3-(2-sulfamoylphenyl)urea.
What is the SMILES notation for 1-propan-2-yl-3-(2-sulfamoylphenyl)urea?
The canonical SMILES for 1-propan-2-yl-3-(2-sulfamoylphenyl)urea is CC(C)NC(=O)Nc1ccccc1S(N)(=O)=O.
What is the InChIKey of 1-propan-2-yl-3-(2-sulfamoylphenyl)urea?
The InChIKey is IQLKFLYPNLYMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-7(2)12-10(14)13-8-5-3-4-6-9(8)17(11,15)16/h3-7H,1-2H3,(H2,11,15,16)(H2,12,13,14).
What are the key properties of 1-propan-2-yl-3-(2-sulfamoylphenyl)urea?
1-propan-2-yl-3-(2-sulfamoylphenyl)urea has a molecular weight of 257.31 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(2-sulfamoylphenyl)urea is sourced from PubChem (CID 61131721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).