2-(difluoromethyl)-4-nitrobenzenesulfonyl chloride

C7H4ClF2NO4S — CID 63734804

IUPAC2-(difluoromethyl)-4-nitrobenzenesulfonyl chloride
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Cl)c(C(F)F)c1
InChIInChI=1S/C7H4ClF2NO4S/c8-16(14,15)6-2-1-4(11(12)13)3-5(6)7(9)10/h1-3,7H
InChIKeyFMPJSAZDPZUHRS-UHFFFAOYSA-N
MW271.63 g/mol
LogP2.46
Rot. Bonds3

About 2-(difluoromethyl)-4-nitrobenzenesulfonyl chloride

2-(difluoromethyl)-4-nitrobenzenesulfonyl chloride (PubChem CID 63734804) has the molecular formula C7H4ClF2NO4S and a molecular weight of 271.63 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-nitrobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-(difluoromethyl)-4-nitrobenzenesulfonyl chloride
PubChem CID63734804
Molecular FormulaC7H4ClF2NO4S
Molecular Weight271.63 g/mol
Exact Mass270.95
IUPAC Name2-(difluoromethyl)-4-nitrobenzenesulfonyl chloride
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Cl)c(C(F)F)c1
InChIInChI=1S/C7H4ClF2NO4S/c8-16(14,15)6-2-1-4(11(12)13)3-5(6)7(9)10/h1-3,7H
InChIKeyFMPJSAZDPZUHRS-UHFFFAOYSA-N
XLogP2.46
TPSA77.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.63
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(difluoromethyl)-4-nitrobenzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dichloromethyl)-4-nitrobenzenesulfonyl chloride
CID 150269142
3-(difluoromethyl)-2-formyl-5-nitrobenzenesulfonyl chloride
CID 172969288
2-ethyl-4-nitrobenzenesulfonyl chloride
CID 87194881
1-bromo-2-(difluoromethyl)-4-nitrobenzene
CID 122515601
2-methyl-5-nitrobenzenesulfonyl chloride
CID 8457
1-(3-chloropropyl)-2-(difluoromethyl)-4-nitrobenzene
CID 118842442
1-(difluoromethyl)-2,4-dinitrobenzene
CID 154791323
2-chloro-4-(difluoromethyl)-5-nitrobenzenesulfonyl chloride
CID 172969027
2-[2-(difluoromethyl)-4-nitroanilino]ethanesulfonamide
CID 63748992
O-[2-(difluoromethyl)-4-nitrophenyl]hydroxylamine
CID 79427922
2-[2-(difluoromethyl)-4-nitroanilino]-N-methylethanesulfonamide
CID 106337659
4-(difluoromethyl)-2-formyl-5-nitrobenzenesulfonyl chloride
CID 172969519

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-nitrobenzenesulfonyl chloride?
The IUPAC name of 2-(difluoromethyl)-4-nitrobenzenesulfonyl chloride (CID 63734804) is 2-(difluoromethyl)-4-nitrobenzenesulfonyl chloride.
What is the SMILES notation for 2-(difluoromethyl)-4-nitrobenzenesulfonyl chloride?
The canonical SMILES for 2-(difluoromethyl)-4-nitrobenzenesulfonyl chloride is O=[N+]([O-])c1ccc(S(=O)(=O)Cl)c(C(F)F)c1.
What is the InChIKey of 2-(difluoromethyl)-4-nitrobenzenesulfonyl chloride?
The InChIKey is FMPJSAZDPZUHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2NO4S/c8-16(14,15)6-2-1-4(11(12)13)3-5(6)7(9)10/h1-3,7H.
What are the key properties of 2-(difluoromethyl)-4-nitrobenzenesulfonyl chloride?
2-(difluoromethyl)-4-nitrobenzenesulfonyl chloride has a molecular weight of 271.63 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-nitrobenzenesulfonyl chloride is sourced from PubChem (CID 63734804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).