1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3,5-dichlorobenzene

C10H15Cl2N3O2S — CID 106058979

IUPAC1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3,5-dichlorobenzene
SMILESCN(CCCN)S(=O)(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H15Cl2N3O2S/c1-15(4-2-3-13)18(16,17)14-10-6-8(11)5-9(12)7-10/h5-7,14H,2-4,13H2,1H3
InChIKeyRJCLUIKBTXAESW-UHFFFAOYSA-N
MW312.22 g/mol
LogP1.93
Rot. Bonds6

About 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3,5-dichlorobenzene

1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3,5-dichlorobenzene (PubChem CID 106058979) has the molecular formula C10H15Cl2N3O2S and a molecular weight of 312.22 g/mol. Its IUPAC name is 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3,5-dichlorobenzene.

Molecular Properties

Compound Name1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3,5-dichlorobenzene
PubChem CID106058979
Molecular FormulaC10H15Cl2N3O2S
Molecular Weight312.22 g/mol
Exact Mass311.03
IUPAC Name1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3,5-dichlorobenzene
SMILESCN(CCCN)S(=O)(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H15Cl2N3O2S/c1-15(4-2-3-13)18(16,17)14-10-6-8(11)5-9(12)7-10/h5-7,14H,2-4,13H2,1H3
InChIKeyRJCLUIKBTXAESW-UHFFFAOYSA-N
XLogP1.93
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dichloro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene
CID 114132444
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,3-dichlorobenzene
CID 114141477
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-ethylbenzene
CID 54952240
N-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]phenyl]acetamide
CID 61456490
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-1-chlorobenzene
CID 114141037
4-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxypyridine
CID 112739513
5-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-benzothiophene
CID 106003745
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2,3,4-trifluorobenzene
CID 61456312
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-chloro-4-(trifluoromethyl)benzene
CID 106003027
3-[[3-aminopropyl(methyl)sulfamoyl]amino]quinoline
CID 62782128
4-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-bromo-2-(trifluoromethyl)benzene
CID 106003250
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,4-dibromobenzene
CID 106007389

Frequently Asked Questions

What is the IUPAC name of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3,5-dichlorobenzene?
The IUPAC name of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3,5-dichlorobenzene (CID 106058979) is 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3,5-dichlorobenzene.
What is the SMILES notation for 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3,5-dichlorobenzene?
The canonical SMILES for 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3,5-dichlorobenzene is CN(CCCN)S(=O)(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3,5-dichlorobenzene?
The InChIKey is RJCLUIKBTXAESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2N3O2S/c1-15(4-2-3-13)18(16,17)14-10-6-8(11)5-9(12)7-10/h5-7,14H,2-4,13H2,1H3.
What are the key properties of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3,5-dichlorobenzene?
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3,5-dichlorobenzene has a molecular weight of 312.22 g/mol, XLogP of 1.93, 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]-3,5-dichlorobenzene is sourced from PubChem (CID 106058979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).