sodium;1-(4-fluorophenyl)-3-propan-2-ylsulfonylurea;hydride

C10H14FN2NaO3S — CID 173290755

IUPACsodium;1-(4-fluorophenyl)-3-propan-2-ylsulfonylurea;hydride
SMILESCC(C)S(=O)(=O)NC(=O)Nc1ccc(F)cc1.[H-].[Na+]
InChIInChI=1S/C10H13FN2O3S.Na.H/c1-7(2)17(15,16)13-10(14)12-9-5-3-8(11)4-6-9;;/h3-7H,1-2H3,(H2,12,13,14);;/q;+1;-1
InChIKeyXFVGSUIWCGQLGK-UHFFFAOYSA-N
MW284.29 g/mol
LogP-1.20
Rot. Bonds3

About sodium;1-(4-fluorophenyl)-3-propan-2-ylsulfonylurea;hydride

sodium;1-(4-fluorophenyl)-3-propan-2-ylsulfonylurea;hydride (PubChem CID 173290755) has the molecular formula C10H14FN2NaO3S and a molecular weight of 284.29 g/mol. Its IUPAC name is sodium;1-(4-fluorophenyl)-3-propan-2-ylsulfonylurea;hydride.

Molecular Properties

Compound Namesodium;1-(4-fluorophenyl)-3-propan-2-ylsulfonylurea;hydride
PubChem CID173290755
Molecular FormulaC10H14FN2NaO3S
Molecular Weight284.29 g/mol
Exact Mass284.06
IUPAC Namesodium;1-(4-fluorophenyl)-3-propan-2-ylsulfonylurea;hydride
SMILESCC(C)S(=O)(=O)NC(=O)Nc1ccc(F)cc1.[H-].[Na+]
InChIInChI=1S/C10H13FN2O3S.Na.H/c1-7(2)17(15,16)13-10(14)12-9-5-3-8(11)4-6-9;;/h3-7H,1-2H3,(H2,12,13,14);;/q;+1;-1
InChIKeyXFVGSUIWCGQLGK-UHFFFAOYSA-N
XLogP-1.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-propan-2-ylsulfonyl-3-[4-[[4-(propan-2-ylsulfonylcarbamoylamino)phenyl]methyl]phenyl]urea
CID 19966672
1-[(2R)-1-ethylsulfonylpropan-2-yl]-3-(4-fluorophenyl)urea
CID 95626056
(2R)-2-[(4-fluorophenyl)carbamoylamino]propanoic acid
CID 20848024
1-(4-fluorophenyl)-3-(2-methylpropyl)urea
CID 17390126
1-(4-fluoroanilino)-3-(4-fluorophenyl)urea
CID 27165314
methyl N-[(4-fluorophenyl)carbamoylamino]carbamate
CID 24535891
2-chloro-N-(4-fluorophenyl)propanamide
CID 532266
N-(4-fluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 17462903
1-(4-fluorophenyl)-3-(4-hydroxypentan-2-yl)urea
CID 113376612
(2S)-N-(4-fluorophenyl)-2-methylbutanamide
CID 838022
2-amino-N-(4-fluorophenyl)propanamide;hydrochloride
CID 56832255
3-(4-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 67508161

Frequently Asked Questions

What is the IUPAC name of sodium;1-(4-fluorophenyl)-3-propan-2-ylsulfonylurea;hydride?
The IUPAC name of sodium;1-(4-fluorophenyl)-3-propan-2-ylsulfonylurea;hydride (CID 173290755) is sodium;1-(4-fluorophenyl)-3-propan-2-ylsulfonylurea;hydride.
What is the SMILES notation for sodium;1-(4-fluorophenyl)-3-propan-2-ylsulfonylurea;hydride?
The canonical SMILES for sodium;1-(4-fluorophenyl)-3-propan-2-ylsulfonylurea;hydride is CC(C)S(=O)(=O)NC(=O)Nc1ccc(F)cc1.[H-].[Na+].
What is the InChIKey of sodium;1-(4-fluorophenyl)-3-propan-2-ylsulfonylurea;hydride?
The InChIKey is XFVGSUIWCGQLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3S.Na.H/c1-7(2)17(15,16)13-10(14)12-9-5-3-8(11)4-6-9;;/h3-7H,1-2H3,(H2,12,13,14);;/q;+1;-1.
What are the key properties of sodium;1-(4-fluorophenyl)-3-propan-2-ylsulfonylurea;hydride?
sodium;1-(4-fluorophenyl)-3-propan-2-ylsulfonylurea;hydride has a molecular weight of 284.29 g/mol, XLogP of -1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-(4-fluorophenyl)-3-propan-2-ylsulfonylurea;hydride is sourced from PubChem (CID 173290755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).