2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,3-dichlorobenzene

C10H15Cl2N3O2S — CID 114141477

IUPAC2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,3-dichlorobenzene
SMILESCN(CCCN)S(=O)(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C10H15Cl2N3O2S/c1-15(7-3-6-13)18(16,17)14-10-8(11)4-2-5-9(10)12/h2,4-5,14H,3,6-7,13H2,1H3
InChIKeyHMIKWSPXNTYZRT-UHFFFAOYSA-N
MW312.22 g/mol
LogP1.93
Rot. Bonds6

About 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,3-dichlorobenzene

2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,3-dichlorobenzene (PubChem CID 114141477) has the molecular formula C10H15Cl2N3O2S and a molecular weight of 312.22 g/mol. Its IUPAC name is 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,3-dichlorobenzene.

Molecular Properties

Compound Name2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,3-dichlorobenzene
PubChem CID114141477
Molecular FormulaC10H15Cl2N3O2S
Molecular Weight312.22 g/mol
Exact Mass311.03
IUPAC Name2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,3-dichlorobenzene
SMILESCN(CCCN)S(=O)(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C10H15Cl2N3O2S/c1-15(7-3-6-13)18(16,17)14-10-8(11)4-2-5-9(10)12/h2,4-5,14H,3,6-7,13H2,1H3
InChIKeyHMIKWSPXNTYZRT-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

2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-methyl-3-propan-2-ylbenzene
CID 61456274
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3,5-dichlorobenzene
CID 106058979
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-1-chlorobenzene
CID 114141037
1-chloro-3-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene
CID 106070684
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-fluoro-2-iodobenzene
CID 114261612
3-[[3-aminopropyl(methyl)sulfamoyl]amino]pyridazine
CID 116786561
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-chloro-4-(trifluoromethyl)benzene
CID 106003027
N-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]phenyl]acetamide
CID 61456490
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-ethylbenzene
CID 54952240
3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpyridine
CID 79042089
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxybenzene
CID 54952343
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2,3,4-trifluorobenzene
CID 61456312

Frequently Asked Questions

What is the IUPAC name of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,3-dichlorobenzene?
The IUPAC name of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,3-dichlorobenzene (CID 114141477) is 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,3-dichlorobenzene.
What is the SMILES notation for 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,3-dichlorobenzene?
The canonical SMILES for 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,3-dichlorobenzene is CN(CCCN)S(=O)(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,3-dichlorobenzene?
The InChIKey is HMIKWSPXNTYZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2N3O2S/c1-15(7-3-6-13)18(16,17)14-10-8(11)4-2-5-9(10)12/h2,4-5,14H,3,6-7,13H2,1H3.
What are the key properties of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,3-dichlorobenzene?
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,3-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 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,3-dichlorobenzene is sourced from PubChem (CID 114141477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).