1-chloro-3-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene

C14H24ClN3O2S — CID 106070684

IUPAC1-chloro-3-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene
SMILESCCCNCCCN(C)S(=O)(=O)Nc1c(C)cccc1Cl
InChIInChI=1S/C14H24ClN3O2S/c1-4-9-16-10-6-11-18(3)21(19,20)17-14-12(2)7-5-8-13(14)15/h5,7-8,16-17H,4,6,9-11H2,1-3H3
InChIKeyGOVBXZGZQDJUAM-UHFFFAOYSA-N
MW333.89 g/mol
LogP2.63
Rot. Bonds9

About 1-chloro-3-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene

1-chloro-3-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene (PubChem CID 106070684) has the molecular formula C14H24ClN3O2S and a molecular weight of 333.89 g/mol. Its IUPAC name is 1-chloro-3-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene.

Molecular Properties

Compound Name1-chloro-3-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene
PubChem CID106070684
Molecular FormulaC14H24ClN3O2S
Molecular Weight333.89 g/mol
Exact Mass333.13
IUPAC Name1-chloro-3-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene
SMILESCCCNCCCN(C)S(=O)(=O)Nc1c(C)cccc1Cl
InChIInChI=1S/C14H24ClN3O2S/c1-4-9-16-10-6-11-18(3)21(19,20)17-14-12(2)7-5-8-13(14)15/h5,7-8,16-17H,4,6,9-11H2,1-3H3
InChIKeyGOVBXZGZQDJUAM-UHFFFAOYSA-N
XLogP2.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.89
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methylphenyl)piperidine-1-sulfonamide
CID 6457772
[(2-Chloro-4-methylphenyl)sulfamoyl]dimethylamine
CID 35767306
N-[3-(2-chloro-6-cyanoanilino)propyl]ethanesulfonamide
CID 71996624
N-(2-chloro-6-methylphenyl)-N',N'-diethylethane-1,2-diamine
CID 339973
[2-Chloro-6-(trifluoromethyl)phenyl]-piperazin-4-ium-1-ylsulfonylazanide
CID 28951051
N-[2-chloro-6-(trifluoromethyl)phenyl]piperazine-1-sulfonamide
CID 28951052
2-chloro-N-hexyl-6-(trifluoromethyl)aniline
CID 29006595
2-chloro-N-heptyl-6-(trifluoromethyl)aniline
CID 55200169
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(methylamino)ethanesulfonamide
CID 61547439
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 61549462
N-[2-chloro-6-(trifluoromethyl)phenyl]piperidine-3-sulfonamide
CID 61549498
N-[2-chloro-6-(trifluoromethyl)phenyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 61549499

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene?
The IUPAC name of 1-chloro-3-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene (CID 106070684) is 1-chloro-3-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene.
What is the SMILES notation for 1-chloro-3-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene?
The canonical SMILES for 1-chloro-3-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene is CCCNCCCN(C)S(=O)(=O)Nc1c(C)cccc1Cl.
What is the InChIKey of 1-chloro-3-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene?
The InChIKey is GOVBXZGZQDJUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O2S/c1-4-9-16-10-6-11-18(3)21(19,20)17-14-12(2)7-5-8-13(14)15/h5,7-8,16-17H,4,6,9-11H2,1-3H3.
What are the key properties of 1-chloro-3-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene?
1-chloro-3-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene has a molecular weight of 333.89 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene is sourced from PubChem (CID 106070684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).