1-[5-(dimethylsulfamoyl)-2-fluorophenyl]-3-(4-methoxybutan-2-yl)urea

C14H22FN3O4S — CID 56806689

IUPAC1-[5-(dimethylsulfamoyl)-2-fluorophenyl]-3-(4-methoxybutan-2-yl)urea
SMILESCOCCC(C)NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F
InChIInChI=1S/C14H22FN3O4S/c1-10(7-8-22-4)16-14(19)17-13-9-11(5-6-12(13)15)23(20,21)18(2)3/h5-6,9-10H,7-8H2,1-4H3,(H2,16,17,19)
InChIKeyOGRHHMMFLOVJEV-UHFFFAOYSA-N
MW347.41 g/mol
LogP1.62
Rot. Bonds7

About 1-[5-(dimethylsulfamoyl)-2-fluorophenyl]-3-(4-methoxybutan-2-yl)urea

1-[5-(dimethylsulfamoyl)-2-fluorophenyl]-3-(4-methoxybutan-2-yl)urea (PubChem CID 56806689) has the molecular formula C14H22FN3O4S and a molecular weight of 347.41 g/mol. Its IUPAC name is 1-[5-(dimethylsulfamoyl)-2-fluorophenyl]-3-(4-methoxybutan-2-yl)urea.

Molecular Properties

Compound Name1-[5-(dimethylsulfamoyl)-2-fluorophenyl]-3-(4-methoxybutan-2-yl)urea
PubChem CID56806689
Molecular FormulaC14H22FN3O4S
Molecular Weight347.41 g/mol
Exact Mass347.13
IUPAC Name1-[5-(dimethylsulfamoyl)-2-fluorophenyl]-3-(4-methoxybutan-2-yl)urea
SMILESCOCCC(C)NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F
InChIInChI=1S/C14H22FN3O4S/c1-10(7-8-22-4)16-14(19)17-13-9-11(5-6-12(13)15)23(20,21)18(2)3/h5-6,9-10H,7-8H2,1-4H3,(H2,16,17,19)
InChIKeyOGRHHMMFLOVJEV-UHFFFAOYSA-N
XLogP1.62
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[5-(dimethylsulfamoyl)-2-fluorophenyl]-2-methoxybutanamide
CID 95774605
1-(4-chlorophenyl)-3-[(2S)-4-methoxybutan-2-yl]urea
CID 124872443
1-[4-(dimethylsulfamoyl)phenyl]-3-(4-hydroxybutan-2-yl)urea
CID 146089010
3-fluoro-4-(4-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 64603638
5-(dimethylsulfamoyl)-N-(2-ethylphenyl)-2-fluorobenzamide
CID 8839430
N-(5-chloro-2-fluorophenyl)-4-(dimethylsulfamoyl)benzamide
CID 2664664
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpropanamide
CID 8838745
(2R)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpentanamide
CID 8838802
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976213
[2-(2-methoxyethylamino)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976212
N-(2-fluoro-5-sulfamoylphenyl)-3-methoxypropanamide
CID 62588775
5-bromo-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide
CID 30969614

Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethylsulfamoyl)-2-fluorophenyl]-3-(4-methoxybutan-2-yl)urea?
The IUPAC name of 1-[5-(dimethylsulfamoyl)-2-fluorophenyl]-3-(4-methoxybutan-2-yl)urea (CID 56806689) is 1-[5-(dimethylsulfamoyl)-2-fluorophenyl]-3-(4-methoxybutan-2-yl)urea.
What is the SMILES notation for 1-[5-(dimethylsulfamoyl)-2-fluorophenyl]-3-(4-methoxybutan-2-yl)urea?
The canonical SMILES for 1-[5-(dimethylsulfamoyl)-2-fluorophenyl]-3-(4-methoxybutan-2-yl)urea is COCCC(C)NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F.
What is the InChIKey of 1-[5-(dimethylsulfamoyl)-2-fluorophenyl]-3-(4-methoxybutan-2-yl)urea?
The InChIKey is OGRHHMMFLOVJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O4S/c1-10(7-8-22-4)16-14(19)17-13-9-11(5-6-12(13)15)23(20,21)18(2)3/h5-6,9-10H,7-8H2,1-4H3,(H2,16,17,19).
What are the key properties of 1-[5-(dimethylsulfamoyl)-2-fluorophenyl]-3-(4-methoxybutan-2-yl)urea?
1-[5-(dimethylsulfamoyl)-2-fluorophenyl]-3-(4-methoxybutan-2-yl)urea has a molecular weight of 347.41 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylsulfamoyl)-2-fluorophenyl]-3-(4-methoxybutan-2-yl)urea is sourced from PubChem (CID 56806689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).