3-(2-chloro-5-sulfamoylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea

C15H22ClN3O4S — CID 125161769

IUPAC3-(2-chloro-5-sulfamoylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
SMILESCN(CCC[C@@H]1CCCO1)C(=O)Nc1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C15H22ClN3O4S/c1-19(8-2-4-11-5-3-9-23-11)15(20)18-14-10-12(24(17,21)22)6-7-13(14)16/h6-7,10-11H,2-5,8-9H2,1H3,(H,18,20)(H2,17,21,22)/t11-/m1/s1
InChIKeyIJOMKNBQHOGIHN-LLVKDONJSA-N
MW375.88 g/mol
LogP2.41
Rot. Bonds6

About 3-(2-chloro-5-sulfamoylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea

3-(2-chloro-5-sulfamoylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea (PubChem CID 125161769) has the molecular formula C15H22ClN3O4S and a molecular weight of 375.88 g/mol. Its IUPAC name is 3-(2-chloro-5-sulfamoylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea.

Molecular Properties

Compound Name3-(2-chloro-5-sulfamoylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
PubChem CID125161769
Molecular FormulaC15H22ClN3O4S
Molecular Weight375.88 g/mol
Exact Mass375.10
IUPAC Name3-(2-chloro-5-sulfamoylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
SMILESCN(CCC[C@@H]1CCCO1)C(=O)Nc1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C15H22ClN3O4S/c1-19(8-2-4-11-5-3-9-23-11)15(20)18-14-10-12(24(17,21)22)6-7-13(14)16/h6-7,10-11H,2-5,8-9H2,1H3,(H,18,20)(H2,17,21,22)/t11-/m1/s1
InChIKeyIJOMKNBQHOGIHN-LLVKDONJSA-N
XLogP2.41
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chloro-5-methylphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea
CID 97279208
3-(3-chloro-4-methylphenyl)-1-methyl-1-[3-(oxolan-2-yl)propyl]urea
CID 118767228
2-chloro-N-methyl-5-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]carbamoyl]amino]benzamide
CID 125170840
4-chloro-3-(oxolan-2-ylmethylamino)benzenesulfonamide
CID 82836345
3-(1,3-benzodioxol-5-yl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 125167071
N-(2-methyl-5-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide
CID 65159878
3-(3-benzylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 125154893
3-[2-(4-methoxyphenyl)phenyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 125160875
3-[2-(4-methoxyphenyl)phenyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea
CID 125160872
3-chloro-4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247341
3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea
CID 118761000
N-(2-chloro-5-sulfamoylphenyl)cyclobutanecarboxamide
CID 61131077

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-sulfamoylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea?
The IUPAC name of 3-(2-chloro-5-sulfamoylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea (CID 125161769) is 3-(2-chloro-5-sulfamoylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea.
What is the SMILES notation for 3-(2-chloro-5-sulfamoylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea?
The canonical SMILES for 3-(2-chloro-5-sulfamoylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea is CN(CCC[C@@H]1CCCO1)C(=O)Nc1cc(S(N)(=O)=O)ccc1Cl.
What is the InChIKey of 3-(2-chloro-5-sulfamoylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea?
The InChIKey is IJOMKNBQHOGIHN-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22ClN3O4S/c1-19(8-2-4-11-5-3-9-23-11)15(20)18-14-10-12(24(17,21)22)6-7-13(14)16/h6-7,10-11H,2-5,8-9H2,1H3,(H,18,20)(H2,17,21,22)/t11-/m1/s1.
What are the key properties of 3-(2-chloro-5-sulfamoylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea?
3-(2-chloro-5-sulfamoylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea has a molecular weight of 375.88 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-sulfamoylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea is sourced from PubChem (CID 125161769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).