N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpropane-1-sulfonamide

C11H13ClF3NO2S — CID 110604267

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H13ClF3NO2S/c1-3-6-19(17,18)16(2)10-7-8(11(13,14)15)4-5-9(10)12/h4-5,7H,3,6H2,1-2H3
InChIKeyUNTDSOQHQGYERS-UHFFFAOYSA-N
MW315.74 g/mol
LogP3.53
Rot. Bonds4

About N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpropane-1-sulfonamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpropane-1-sulfonamide (PubChem CID 110604267) has the molecular formula C11H13ClF3NO2S and a molecular weight of 315.74 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpropane-1-sulfonamide
PubChem CID110604267
Molecular FormulaC11H13ClF3NO2S
Molecular Weight315.74 g/mol
Exact Mass315.03
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H13ClF3NO2S/c1-3-6-19(17,18)16(2)10-7-8(11(13,14)15)4-5-9(10)12/h4-5,7H,3,6H2,1-2H3
InChIKeyUNTDSOQHQGYERS-UHFFFAOYSA-N
XLogP3.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.74
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-2-[methyl(propylsulfamoyl)amino]-4-(trifluoromethyl)benzene
CID 110613248
N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide
CID 84511027
methyl 2-[2-chloro-N-ethylsulfonyl-5-(trifluoromethyl)anilino]acetate
CID 50893328
1-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylhydrazine
CID 82080672
4-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide
CID 110604269
methyl N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcarbamate
CID 110604261
2-chloro-N-[2-(diethylamino)ethyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide
CID 3528675
3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-N-ethyl-4-methoxybenzenesulfonamide
CID 100513742
2-chloro-N-(2-hydroxyethyl)-N-pentyl-5-(trifluoromethyl)benzenesulfonamide
CID 74229500
1-[2-chloro-5-(trifluoromethyl)phenyl]-N-(cyanomethyl)-N-methylmethanesulfonamide
CID 15616020
N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcyclopropanecarboxamide
CID 110604257
2-chloro-N-(cyclopropylmethyl)-N-propyl-5-(trifluoromethyl)benzenesulfonamide
CID 55353365

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpropane-1-sulfonamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpropane-1-sulfonamide (CID 110604267) is N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpropane-1-sulfonamide is CCCS(=O)(=O)N(C)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpropane-1-sulfonamide?
The InChIKey is UNTDSOQHQGYERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO2S/c1-3-6-19(17,18)16(2)10-7-8(11(13,14)15)4-5-9(10)12/h4-5,7H,3,6H2,1-2H3.
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpropane-1-sulfonamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpropane-1-sulfonamide has a molecular weight of 315.74 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 110604267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).