1-(2-chloro-5-sulfamoylphenyl)-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]urea

C15H19ClN4O4S — CID 118775815

IUPAC1-(2-chloro-5-sulfamoylphenyl)-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]urea
SMILESCC(C)Cc1cc(CNC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)on1
InChIInChI=1S/C15H19ClN4O4S/c1-9(2)5-10-6-11(24-20-10)8-18-15(21)19-14-7-12(25(17,22)23)3-4-13(14)16/h3-4,6-7,9H,5,8H2,1-2H3,(H2,17,22,23)(H2,18,19,21)
InChIKeySQQYAJSXDZELFE-UHFFFAOYSA-N
MW386.86 g/mol
LogP2.50
Rot. Bonds6

About 1-(2-chloro-5-sulfamoylphenyl)-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]urea

1-(2-chloro-5-sulfamoylphenyl)-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]urea (PubChem CID 118775815) has the molecular formula C15H19ClN4O4S and a molecular weight of 386.86 g/mol. Its IUPAC name is 1-(2-chloro-5-sulfamoylphenyl)-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]urea.

Molecular Properties

Compound Name1-(2-chloro-5-sulfamoylphenyl)-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]urea
PubChem CID118775815
Molecular FormulaC15H19ClN4O4S
Molecular Weight386.86 g/mol
Exact Mass386.08
IUPAC Name1-(2-chloro-5-sulfamoylphenyl)-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]urea
SMILESCC(C)Cc1cc(CNC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)on1
InChIInChI=1S/C15H19ClN4O4S/c1-9(2)5-10-6-11(24-20-10)8-18-15(21)19-14-7-12(25(17,22)23)3-4-13(14)16/h3-4,6-7,9H,5,8H2,1-2H3,(H2,17,22,23)(H2,18,19,21)
InChIKeySQQYAJSXDZELFE-UHFFFAOYSA-N
XLogP2.50
TPSA127.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-methoxy-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoylamino]benzoate
CID 118785711
N-(2-chloro-5-sulfamoylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 61128987
(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)-3-methylbutanamide
CID 61178070
3-amino-N-(2-chloro-5-sulfamoylphenyl)butanamide
CID 54924131
N-(2-chloro-5-sulfamoylphenyl)propanamide
CID 61130694
N-(2-chloro-5-sulfamoylphenyl)-1,2-oxazole-5-carboxamide
CID 61131080
(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)pentanamide
CID 107568676
N-(2-chloro-5-sulfamoylphenyl)-3-(propan-2-ylamino)propanamide
CID 60852732
1-(2-chloro-5-sulfamoylphenyl)-3-[[(6S)-4-methyl-1,4-oxazepan-6-yl]methyl]urea
CID 125170831
2-(2-chloro-5-sulfamoylanilino)propanoic acid
CID 66174535
2-amino-N-[2-(2-chloro-5-sulfamoylanilino)-2-oxoethyl]acetamide
CID 60849966
1-(aminomethyl)-N-(2-chloro-5-sulfamoylphenyl)cyclobutane-1-carboxamide
CID 115447750

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-sulfamoylphenyl)-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]urea?
The IUPAC name of 1-(2-chloro-5-sulfamoylphenyl)-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]urea (CID 118775815) is 1-(2-chloro-5-sulfamoylphenyl)-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]urea.
What is the SMILES notation for 1-(2-chloro-5-sulfamoylphenyl)-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]urea?
The canonical SMILES for 1-(2-chloro-5-sulfamoylphenyl)-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]urea is CC(C)Cc1cc(CNC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)on1.
What is the InChIKey of 1-(2-chloro-5-sulfamoylphenyl)-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]urea?
The InChIKey is SQQYAJSXDZELFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O4S/c1-9(2)5-10-6-11(24-20-10)8-18-15(21)19-14-7-12(25(17,22)23)3-4-13(14)16/h3-4,6-7,9H,5,8H2,1-2H3,(H2,17,22,23)(H2,18,19,21).
What are the key properties of 1-(2-chloro-5-sulfamoylphenyl)-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]urea?
1-(2-chloro-5-sulfamoylphenyl)-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]urea has a molecular weight of 386.86 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-sulfamoylphenyl)-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]urea is sourced from PubChem (CID 118775815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).