1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-chloro-4-(trifluoromethyl)benzene

C11H15ClF3N3O2S — CID 106003027

IUPAC1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-chloro-4-(trifluoromethyl)benzene
SMILESCN(CCCN)S(=O)(=O)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H15ClF3N3O2S/c1-18(6-2-5-16)21(19,20)17-10-4-3-8(7-9(10)12)11(13,14)15/h3-4,7,17H,2,5-6,16H2,1H3
InChIKeyICXRROGWUBJWAR-UHFFFAOYSA-N
MW345.77 g/mol
LogP2.30
Rot. Bonds6

About 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-chloro-4-(trifluoromethyl)benzene

1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-chloro-4-(trifluoromethyl)benzene (PubChem CID 106003027) has the molecular formula C11H15ClF3N3O2S and a molecular weight of 345.77 g/mol. Its IUPAC name is 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-chloro-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-chloro-4-(trifluoromethyl)benzene
PubChem CID106003027
Molecular FormulaC11H15ClF3N3O2S
Molecular Weight345.77 g/mol
Exact Mass345.05
IUPAC Name1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-chloro-4-(trifluoromethyl)benzene
SMILESCN(CCCN)S(=O)(=O)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H15ClF3N3O2S/c1-18(6-2-5-16)21(19,20)17-10-4-3-8(7-9(10)12)11(13,14)15/h3-4,7,17H,2,5-6,16H2,1H3
InChIKeyICXRROGWUBJWAR-UHFFFAOYSA-N
XLogP2.30
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.77
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide
CID 115319032
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-1-chlorobenzene
CID 114141037
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2,3,4-trifluorobenzene
CID 61456312
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-2-fluorobenzene
CID 114141108
1-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]propane-2-sulfonamide
CID 106002934
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,3-dichlorobenzene
CID 114141477
N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 115319055
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3,5-dichlorobenzene
CID 106058979
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,4-dibromobenzene
CID 106007389
4-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-bromo-2-(trifluoromethyl)benzene
CID 106003250
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxybenzene
CID 54952343
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-fluoro-2-iodobenzene
CID 114261612

Frequently Asked Questions

What is the IUPAC name of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-chloro-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-chloro-4-(trifluoromethyl)benzene (CID 106003027) is 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-chloro-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-chloro-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-chloro-4-(trifluoromethyl)benzene is CN(CCCN)S(=O)(=O)Nc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-chloro-4-(trifluoromethyl)benzene?
The InChIKey is ICXRROGWUBJWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N3O2S/c1-18(6-2-5-16)21(19,20)17-10-4-3-8(7-9(10)12)11(13,14)15/h3-4,7,17H,2,5-6,16H2,1H3.
What are the key properties of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-chloro-4-(trifluoromethyl)benzene?
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-chloro-4-(trifluoromethyl)benzene has a molecular weight of 345.77 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-chloro-4-(trifluoromethyl)benzene is sourced from PubChem (CID 106003027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).