1-chloro-2-[methyl(propylsulfamoyl)amino]-4-(trifluoromethyl)benzene

C11H14ClF3N2O2S — CID 110613248

IUPAC1-chloro-2-[methyl(propylsulfamoyl)amino]-4-(trifluoromethyl)benzene
SMILESCCCNS(=O)(=O)N(C)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H14ClF3N2O2S/c1-3-6-16-20(18,19)17(2)10-7-8(11(13,14)15)4-5-9(10)12/h4-5,7,16H,3,6H2,1-2H3
InChIKeyQEJRCLDNHKHJJH-UHFFFAOYSA-N
MW330.76 g/mol
LogP3.04
Rot. Bonds5

About 1-chloro-2-[methyl(propylsulfamoyl)amino]-4-(trifluoromethyl)benzene

1-chloro-2-[methyl(propylsulfamoyl)amino]-4-(trifluoromethyl)benzene (PubChem CID 110613248) has the molecular formula C11H14ClF3N2O2S and a molecular weight of 330.76 g/mol. Its IUPAC name is 1-chloro-2-[methyl(propylsulfamoyl)amino]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-2-[methyl(propylsulfamoyl)amino]-4-(trifluoromethyl)benzene
PubChem CID110613248
Molecular FormulaC11H14ClF3N2O2S
Molecular Weight330.76 g/mol
Exact Mass330.04
IUPAC Name1-chloro-2-[methyl(propylsulfamoyl)amino]-4-(trifluoromethyl)benzene
SMILESCCCNS(=O)(=O)N(C)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H14ClF3N2O2S/c1-3-6-16-20(18,19)17(2)10-7-8(11(13,14)15)4-5-9(10)12/h4-5,7,16H,3,6H2,1-2H3
InChIKeyQEJRCLDNHKHJJH-UHFFFAOYSA-N
XLogP3.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.76
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpropane-1-sulfonamide
CID 110604267
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-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 2443168
4-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide
CID 110604269
methyl N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcarbamate
CID 110604261
N-propyl-4-(trifluoromethyl)benzenesulfonamide
CID 43212868
N-[2-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]ethyl]-2-ethylbutanamide
CID 113062130
1-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-3-propan-2-ylurea
CID 110667992
2-chloro-N-(3-methylsulfonylpropyl)-5-(trifluoromethyl)aniline
CID 63190461
2-chloro-1-ethyl-4-(trifluoromethyl)benzene;ethane
CID 144611727

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[methyl(propylsulfamoyl)amino]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-2-[methyl(propylsulfamoyl)amino]-4-(trifluoromethyl)benzene (CID 110613248) is 1-chloro-2-[methyl(propylsulfamoyl)amino]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-2-[methyl(propylsulfamoyl)amino]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-2-[methyl(propylsulfamoyl)amino]-4-(trifluoromethyl)benzene is CCCNS(=O)(=O)N(C)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 1-chloro-2-[methyl(propylsulfamoyl)amino]-4-(trifluoromethyl)benzene?
The InChIKey is QEJRCLDNHKHJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2O2S/c1-3-6-16-20(18,19)17(2)10-7-8(11(13,14)15)4-5-9(10)12/h4-5,7,16H,3,6H2,1-2H3.
What are the key properties of 1-chloro-2-[methyl(propylsulfamoyl)amino]-4-(trifluoromethyl)benzene?
1-chloro-2-[methyl(propylsulfamoyl)amino]-4-(trifluoromethyl)benzene has a molecular weight of 330.76 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[methyl(propylsulfamoyl)amino]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 110613248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).