N-(1-chloropropan-2-yl)-2,4,6-trifluoro-N-methylbenzenesulfonamide

C10H11ClF3NO2S — CID 104556498

IUPACN-(1-chloropropan-2-yl)-2,4,6-trifluoro-N-methylbenzenesulfonamide
SMILESCC(CCl)N(C)S(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C10H11ClF3NO2S/c1-6(5-11)15(2)18(16,17)10-8(13)3-7(12)4-9(10)14/h3-4,6H,5H2,1-2H3
InChIKeySCQHUTKDSKMIEO-UHFFFAOYSA-N
MW301.72 g/mol
LogP2.35
Rot. Bonds4

About N-(1-chloropropan-2-yl)-2,4,6-trifluoro-N-methylbenzenesulfonamide

N-(1-chloropropan-2-yl)-2,4,6-trifluoro-N-methylbenzenesulfonamide (PubChem CID 104556498) has the molecular formula C10H11ClF3NO2S and a molecular weight of 301.72 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-2,4,6-trifluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-2,4,6-trifluoro-N-methylbenzenesulfonamide
PubChem CID104556498
Molecular FormulaC10H11ClF3NO2S
Molecular Weight301.72 g/mol
Exact Mass301.02
IUPAC NameN-(1-chloropropan-2-yl)-2,4,6-trifluoro-N-methylbenzenesulfonamide
SMILESCC(CCl)N(C)S(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C10H11ClF3NO2S/c1-6(5-11)15(2)18(16,17)10-8(13)3-7(12)4-9(10)14/h3-4,6H,5H2,1-2H3
InChIKeySCQHUTKDSKMIEO-UHFFFAOYSA-N
XLogP2.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.72
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Chloromethyl)-2-methyl-1-(phenylsulfonyl)aziridine
CID 3406106
N,N-Bis(2-chloroethyl)benzenesulfonamide
CID 315320
N,N-diethyl-3,5-difluorobenzene sulfonamide
CID 60700204
N,N-Diisopropyl 4-fluorobenzenesulfonamide
CID 4122747
N,N-diethyl-3,4-difluorobenzenesulfonamide
CID 17374345
2-chloro-N-(2-chloroethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 18761529
4-fluoro-N-methyl-N-(propan-2-yl)benzene-1-sulfonamide
CID 43386619
2-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 43386620
N-ethyl-4-fluoro-N-methylbenzenesulfonamide
CID 43414950
3,5-difluoro-N,N-dimethylbenzenesulfonamide
CID 52540297
N,N-bis(2-chloroethyl)-2-fluorobenzenesulfonamide
CID 81935636
N-(3-Chloropropyl)-N-methylbenzenesulfonamide
CID 603454

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-2,4,6-trifluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(1-chloropropan-2-yl)-2,4,6-trifluoro-N-methylbenzenesulfonamide (CID 104556498) is N-(1-chloropropan-2-yl)-2,4,6-trifluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-2,4,6-trifluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-2,4,6-trifluoro-N-methylbenzenesulfonamide is CC(CCl)N(C)S(=O)(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of N-(1-chloropropan-2-yl)-2,4,6-trifluoro-N-methylbenzenesulfonamide?
The InChIKey is SCQHUTKDSKMIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO2S/c1-6(5-11)15(2)18(16,17)10-8(13)3-7(12)4-9(10)14/h3-4,6H,5H2,1-2H3.
What are the key properties of N-(1-chloropropan-2-yl)-2,4,6-trifluoro-N-methylbenzenesulfonamide?
N-(1-chloropropan-2-yl)-2,4,6-trifluoro-N-methylbenzenesulfonamide has a molecular weight of 301.72 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-2,4,6-trifluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 104556498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).