4-chloro-2-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide

C10H11ClFNO3S — CID 113351354

IUPAC4-chloro-2-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
SMILESO=S(=O)(NC1(CO)CC1)c1ccc(Cl)cc1F
InChIInChI=1S/C10H11ClFNO3S/c11-7-1-2-9(8(12)5-7)17(15,16)13-10(6-14)3-4-10/h1-2,5,13-14H,3-4,6H2
InChIKeyJYLLWUXDPHMJFH-UHFFFAOYSA-N
MW279.72 g/mol
LogP1.28
Rot. Bonds4

About 4-chloro-2-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide

4-chloro-2-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide (PubChem CID 113351354) has the molecular formula C10H11ClFNO3S and a molecular weight of 279.72 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
PubChem CID113351354
Molecular FormulaC10H11ClFNO3S
Molecular Weight279.72 g/mol
Exact Mass279.01
IUPAC Name4-chloro-2-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
SMILESO=S(=O)(NC1(CO)CC1)c1ccc(Cl)cc1F
InChIInChI=1S/C10H11ClFNO3S/c11-7-1-2-9(8(12)5-7)17(15,16)13-10(6-14)3-4-10/h1-2,5,13-14H,3-4,6H2
InChIKeyJYLLWUXDPHMJFH-UHFFFAOYSA-N
XLogP1.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide?
The IUPAC name of 4-chloro-2-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide (CID 113351354) is 4-chloro-2-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide is O=S(=O)(NC1(CO)CC1)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide?
The InChIKey is JYLLWUXDPHMJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO3S/c11-7-1-2-9(8(12)5-7)17(15,16)13-10(6-14)3-4-10/h1-2,5,13-14H,3-4,6H2.
What are the key properties of 4-chloro-2-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide?
4-chloro-2-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide has a molecular weight of 279.72 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide is sourced from PubChem (CID 113351354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).