4-(2,2,3,3-tetrafluoropropanoylamino)benzenesulfonyl chloride

C9H6ClF4NO3S — CID 114032743

IUPAC4-(2,2,3,3-tetrafluoropropanoylamino)benzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)cc1)C(F)(F)C(F)F
InChIInChI=1S/C9H6ClF4NO3S/c10-19(17,18)6-3-1-5(2-4-6)15-8(16)9(13,14)7(11)12/h1-4,7H,(H,15,16)
InChIKeyZSIBRPFMEUGOLB-UHFFFAOYSA-N
MW319.66 g/mol
LogP2.45
Rot. Bonds4

About 4-(2,2,3,3-tetrafluoropropanoylamino)benzenesulfonyl chloride

4-(2,2,3,3-tetrafluoropropanoylamino)benzenesulfonyl chloride (PubChem CID 114032743) has the molecular formula C9H6ClF4NO3S and a molecular weight of 319.66 g/mol. Its IUPAC name is 4-(2,2,3,3-tetrafluoropropanoylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(2,2,3,3-tetrafluoropropanoylamino)benzenesulfonyl chloride
PubChem CID114032743
Molecular FormulaC9H6ClF4NO3S
Molecular Weight319.66 g/mol
Exact Mass318.97
IUPAC Name4-(2,2,3,3-tetrafluoropropanoylamino)benzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)cc1)C(F)(F)C(F)F
InChIInChI=1S/C9H6ClF4NO3S/c10-19(17,18)6-3-1-5(2-4-6)15-8(16)9(13,14)7(11)12/h1-4,7H,(H,15,16)
InChIKeyZSIBRPFMEUGOLB-UHFFFAOYSA-N
XLogP2.45
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.66
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2,2,3,3-tetrafluoropropanamide
CID 103731824
2,2,3,3-tetrafluoro-N-(4-fluorophenyl)propanamide
CID 103731851
N-(4-ethylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103731916
N-(3-chloro-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide
CID 113250773
N-(3-chloro-4-hydroxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 113368357
2,2,3,3-tetrafluoro-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 103732513
2,2,3,3-tetrafluoro-N-(1H-indol-5-yl)propanamide
CID 103732445
2,2,3,3-tetrafluoro-N-(4-piperidin-1-ylphenyl)propanamide
CID 103731896
[4-(4-chlorosulfonylphenyl)phenyl]carbamic acid
CID 87188677
4-[(4-chlorosulfonylbenzoyl)amino]benzoic acid
CID 164925854
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2,3,3-tetrafluoropropanamide
CID 103731825
2-bromo-5-(2,2,3,3-tetrafluoropropanoylamino)benzoic acid
CID 114032535

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3,3-tetrafluoropropanoylamino)benzenesulfonyl chloride?
The IUPAC name of 4-(2,2,3,3-tetrafluoropropanoylamino)benzenesulfonyl chloride (CID 114032743) is 4-(2,2,3,3-tetrafluoropropanoylamino)benzenesulfonyl chloride.
What is the SMILES notation for 4-(2,2,3,3-tetrafluoropropanoylamino)benzenesulfonyl chloride?
The canonical SMILES for 4-(2,2,3,3-tetrafluoropropanoylamino)benzenesulfonyl chloride is O=C(Nc1ccc(S(=O)(=O)Cl)cc1)C(F)(F)C(F)F.
What is the InChIKey of 4-(2,2,3,3-tetrafluoropropanoylamino)benzenesulfonyl chloride?
The InChIKey is ZSIBRPFMEUGOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF4NO3S/c10-19(17,18)6-3-1-5(2-4-6)15-8(16)9(13,14)7(11)12/h1-4,7H,(H,15,16).
What are the key properties of 4-(2,2,3,3-tetrafluoropropanoylamino)benzenesulfonyl chloride?
4-(2,2,3,3-tetrafluoropropanoylamino)benzenesulfonyl chloride has a molecular weight of 319.66 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3-tetrafluoropropanoylamino)benzenesulfonyl chloride is sourced from PubChem (CID 114032743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).