6-chloro-2,3-difluoro-N-[(2S)-2-methoxypropyl]benzenesulfonamide

C10H12ClF2NO3S — CID 164639906

IUPAC6-chloro-2,3-difluoro-N-[(2S)-2-methoxypropyl]benzenesulfonamide
SMILESCO[C@@H](C)CNS(=O)(=O)c1c(Cl)ccc(F)c1F
InChIInChI=1S/C10H12ClF2NO3S/c1-6(17-2)5-14-18(15,16)10-7(11)3-4-8(12)9(10)13/h3-4,6,14H,5H2,1-2H3/t6-/m0/s1
InChIKeyKSUNZWLAWASIKI-LURJTMIESA-N
MW299.73 g/mol
LogP1.93
Rot. Bonds5

About 6-chloro-2,3-difluoro-N-[(2S)-2-methoxypropyl]benzenesulfonamide

6-chloro-2,3-difluoro-N-[(2S)-2-methoxypropyl]benzenesulfonamide (PubChem CID 164639906) has the molecular formula C10H12ClF2NO3S and a molecular weight of 299.73 g/mol. Its IUPAC name is 6-chloro-2,3-difluoro-N-[(2S)-2-methoxypropyl]benzenesulfonamide.

Molecular Properties

Compound Name6-chloro-2,3-difluoro-N-[(2S)-2-methoxypropyl]benzenesulfonamide
PubChem CID164639906
Molecular FormulaC10H12ClF2NO3S
Molecular Weight299.73 g/mol
Exact Mass299.02
IUPAC Name6-chloro-2,3-difluoro-N-[(2S)-2-methoxypropyl]benzenesulfonamide
SMILESCO[C@@H](C)CNS(=O)(=O)c1c(Cl)ccc(F)c1F
InChIInChI=1S/C10H12ClF2NO3S/c1-6(17-2)5-14-18(15,16)10-7(11)3-4-8(12)9(10)13/h3-4,6,14H,5H2,1-2H3/t6-/m0/s1
InChIKeyKSUNZWLAWASIKI-LURJTMIESA-N
XLogP1.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.73
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-difluoro-N-[(2S)-2-methoxypropyl]benzenesulfonamide?
The IUPAC name of 6-chloro-2,3-difluoro-N-[(2S)-2-methoxypropyl]benzenesulfonamide (CID 164639906) is 6-chloro-2,3-difluoro-N-[(2S)-2-methoxypropyl]benzenesulfonamide.
What is the SMILES notation for 6-chloro-2,3-difluoro-N-[(2S)-2-methoxypropyl]benzenesulfonamide?
The canonical SMILES for 6-chloro-2,3-difluoro-N-[(2S)-2-methoxypropyl]benzenesulfonamide is CO[C@@H](C)CNS(=O)(=O)c1c(Cl)ccc(F)c1F.
What is the InChIKey of 6-chloro-2,3-difluoro-N-[(2S)-2-methoxypropyl]benzenesulfonamide?
The InChIKey is KSUNZWLAWASIKI-LURJTMIESA-N. The full InChI is InChI=1S/C10H12ClF2NO3S/c1-6(17-2)5-14-18(15,16)10-7(11)3-4-8(12)9(10)13/h3-4,6,14H,5H2,1-2H3/t6-/m0/s1.
What are the key properties of 6-chloro-2,3-difluoro-N-[(2S)-2-methoxypropyl]benzenesulfonamide?
6-chloro-2,3-difluoro-N-[(2S)-2-methoxypropyl]benzenesulfonamide has a molecular weight of 299.73 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-difluoro-N-[(2S)-2-methoxypropyl]benzenesulfonamide is sourced from PubChem (CID 164639906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).