1,4-difluoro-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene

C13H21F2N3O2S — CID 106058043

IUPAC1,4-difluoro-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene
SMILESCC(C)NCCCN(C)S(=O)(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C13H21F2N3O2S/c1-10(2)16-7-4-8-18(3)21(19,20)17-13-9-11(14)5-6-12(13)15/h5-6,9-10,16-17H,4,7-8H2,1-3H3
InChIKeyVOTVPKRLUTVBSF-UHFFFAOYSA-N
MW321.39 g/mol
LogP1.94
Rot. Bonds8

About 1,4-difluoro-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene

1,4-difluoro-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene (PubChem CID 106058043) has the molecular formula C13H21F2N3O2S and a molecular weight of 321.39 g/mol. Its IUPAC name is 1,4-difluoro-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene.

Molecular Properties

Compound Name1,4-difluoro-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene
PubChem CID106058043
Molecular FormulaC13H21F2N3O2S
Molecular Weight321.39 g/mol
Exact Mass321.13
IUPAC Name1,4-difluoro-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene
SMILESCC(C)NCCCN(C)S(=O)(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C13H21F2N3O2S/c1-10(2)16-7-4-8-18(3)21(19,20)17-13-9-11(14)5-6-12(13)15/h5-6,9-10,16-17H,4,7-8H2,1-3H3
InChIKeyVOTVPKRLUTVBSF-UHFFFAOYSA-N
XLogP1.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,4-difluoro-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-1-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene
CID 106031151
1-chloro-4-fluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106088483
1,2-dichloro-4-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene
CID 106059485
N-(2,5-difluorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206228
1-bromo-2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-4-fluorobenzene
CID 106087475
1-bromo-2-chloro-4-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene
CID 106090210
2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethylbenzene
CID 106060187
2-bromo-1-fluoro-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106078274
N-[(2,4-difluorophenyl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106055191
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2,3,4-trifluorobenzene
CID 61456312
5-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]-1,3-thiazole
CID 106060954
2-[[butyl(methyl)sulfamoyl]amino]-5-fluorobenzoic acid
CID 43351263

Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene?
The IUPAC name of 1,4-difluoro-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene (CID 106058043) is 1,4-difluoro-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene.
What is the SMILES notation for 1,4-difluoro-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene?
The canonical SMILES for 1,4-difluoro-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene is CC(C)NCCCN(C)S(=O)(=O)Nc1cc(F)ccc1F.
What is the InChIKey of 1,4-difluoro-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene?
The InChIKey is VOTVPKRLUTVBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N3O2S/c1-10(2)16-7-4-8-18(3)21(19,20)17-13-9-11(14)5-6-12(13)15/h5-6,9-10,16-17H,4,7-8H2,1-3H3.
What are the key properties of 1,4-difluoro-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene?
1,4-difluoro-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene has a molecular weight of 321.39 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene is sourced from PubChem (CID 106058043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).