N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-hydroxybutanamide

C11H15FN2O4S — CID 79201442

IUPACN-[4-fluoro-3-(methanesulfonamido)phenyl]-4-hydroxybutanamide
SMILESCS(=O)(=O)Nc1cc(NC(=O)CCCO)ccc1F
InChIInChI=1S/C11H15FN2O4S/c1-19(17,18)14-10-7-8(4-5-9(10)12)13-11(16)3-2-6-15/h4-5,7,14-15H,2-3,6H2,1H3,(H,13,16)
InChIKeyYAMPVGCWXZSSPA-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.91
Rot. Bonds6

About N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-hydroxybutanamide

N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-hydroxybutanamide (PubChem CID 79201442) has the molecular formula C11H15FN2O4S and a molecular weight of 290.32 g/mol. Its IUPAC name is N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-hydroxybutanamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(methanesulfonamido)phenyl]-4-hydroxybutanamide
PubChem CID79201442
Molecular FormulaC11H15FN2O4S
Molecular Weight290.32 g/mol
Exact Mass290.07
IUPAC NameN-[4-fluoro-3-(methanesulfonamido)phenyl]-4-hydroxybutanamide
SMILESCS(=O)(=O)Nc1cc(NC(=O)CCCO)ccc1F
InChIInChI=1S/C11H15FN2O4S/c1-19(17,18)14-10-7-8(4-5-9(10)12)13-11(16)3-2-6-15/h4-5,7,14-15H,2-3,6H2,1H3,(H,13,16)
InChIKeyYAMPVGCWXZSSPA-UHFFFAOYSA-N
XLogP0.91
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-fluoro-3-(methanesulfonamido)anilino]-5-oxopentanoic acid
CID 60941392
N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(propan-2-ylamino)propanamide
CID 60852910
3-(4-chlorophenyl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide
CID 43050377
2-(4-chlorophenyl)sulfonyl-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide
CID 24677242
2,2,2-trifluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide
CID 62732998
ethyl N-[4-fluoro-3-(methanesulfonamido)phenyl]carbamate
CID 60728396
5-chloro-2-fluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide
CID 25487071
2-amino-2-ethyl-N-[4-fluoro-3-(methanesulfonamido)phenyl]butanamide
CID 79814001
4-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylbutanamide
CID 80542664
N-(3-acetamido-4-fluorophenyl)-4-chlorobutanamide
CID 63309475
2-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-methylbutanamide
CID 43712924
4-(4-chlorophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]butanamide
CID 55828058

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-hydroxybutanamide?
The IUPAC name of N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-hydroxybutanamide (CID 79201442) is N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-hydroxybutanamide.
What is the SMILES notation for N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-hydroxybutanamide?
The canonical SMILES for N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-hydroxybutanamide is CS(=O)(=O)Nc1cc(NC(=O)CCCO)ccc1F.
What is the InChIKey of N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-hydroxybutanamide?
The InChIKey is YAMPVGCWXZSSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O4S/c1-19(17,18)14-10-7-8(4-5-9(10)12)13-11(16)3-2-6-15/h4-5,7,14-15H,2-3,6H2,1H3,(H,13,16).
What are the key properties of N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-hydroxybutanamide?
N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-hydroxybutanamide has a molecular weight of 290.32 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-hydroxybutanamide is sourced from PubChem (CID 79201442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).