4-(aminomethyl)-2-cyano-6-(difluoromethyl)benzenesulfonyl chloride

C9H7ClF2N2O2S — CID 118817447

IUPAC4-(aminomethyl)-2-cyano-6-(difluoromethyl)benzenesulfonyl chloride
SMILESN#Cc1cc(CN)cc(C(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C9H7ClF2N2O2S/c10-17(15,16)8-6(4-14)1-5(3-13)2-7(8)9(11)12/h1-2,9H,3,13H2
InChIKeySLQWGNJUYIECRZ-UHFFFAOYSA-N
MW280.68 g/mol
LogP1.88
Rot. Bonds3

About 4-(aminomethyl)-2-cyano-6-(difluoromethyl)benzenesulfonyl chloride

4-(aminomethyl)-2-cyano-6-(difluoromethyl)benzenesulfonyl chloride (PubChem CID 118817447) has the molecular formula C9H7ClF2N2O2S and a molecular weight of 280.68 g/mol. Its IUPAC name is 4-(aminomethyl)-2-cyano-6-(difluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(aminomethyl)-2-cyano-6-(difluoromethyl)benzenesulfonyl chloride
PubChem CID118817447
Molecular FormulaC9H7ClF2N2O2S
Molecular Weight280.68 g/mol
Exact Mass279.99
IUPAC Name4-(aminomethyl)-2-cyano-6-(difluoromethyl)benzenesulfonyl chloride
SMILESN#Cc1cc(CN)cc(C(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C9H7ClF2N2O2S/c10-17(15,16)8-6(4-14)1-5(3-13)2-7(8)9(11)12/h1-2,9H,3,13H2
InChIKeySLQWGNJUYIECRZ-UHFFFAOYSA-N
XLogP1.88
TPSA83.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-4-(difluoromethyl)-2-ethylbenzenesulfonyl chloride
CID 131468276
5-(aminomethyl)-3-cyano-2-nitrobenzenesulfonyl chloride
CID 131301318
6-cyano-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride
CID 130077018
4-cyano-2-(difluoromethyl)-6-nitrobenzenesulfonyl chloride
CID 118833910
6-bromo-4-cyano-2-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130109159
2-(aminomethyl)-6-cyano-4-nitrobenzenesulfonyl chloride
CID 131301436
2-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride
CID 130078494
2-cyano-4-ethyl-6-methylbenzenesulfonyl chloride
CID 131405476
6-(aminomethyl)-3-cyano-2-(difluoromethoxy)benzenesulfonyl chloride
CID 131508861
2-(aminomethyl)-6-cyano-4-(trifluoromethoxy)benzenesulfonyl chloride
CID 134618553
6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 133084808
2-cyano-4-(difluoromethyl)-5-methylbenzenesulfonyl chloride
CID 131485077

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-cyano-6-(difluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 4-(aminomethyl)-2-cyano-6-(difluoromethyl)benzenesulfonyl chloride (CID 118817447) is 4-(aminomethyl)-2-cyano-6-(difluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-(aminomethyl)-2-cyano-6-(difluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 4-(aminomethyl)-2-cyano-6-(difluoromethyl)benzenesulfonyl chloride is N#Cc1cc(CN)cc(C(F)F)c1S(=O)(=O)Cl.
What is the InChIKey of 4-(aminomethyl)-2-cyano-6-(difluoromethyl)benzenesulfonyl chloride?
The InChIKey is SLQWGNJUYIECRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2N2O2S/c10-17(15,16)8-6(4-14)1-5(3-13)2-7(8)9(11)12/h1-2,9H,3,13H2.
What are the key properties of 4-(aminomethyl)-2-cyano-6-(difluoromethyl)benzenesulfonyl chloride?
4-(aminomethyl)-2-cyano-6-(difluoromethyl)benzenesulfonyl chloride has a molecular weight of 280.68 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-cyano-6-(difluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 118817447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).