2-chloro-1-methyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene

C14H24ClN3O2S — CID 106039174

IUPAC2-chloro-1-methyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene
SMILESCCCNCCCN(C)S(=O)(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C14H24ClN3O2S/c1-4-8-16-9-5-10-18(3)21(19,20)17-13-7-6-12(2)14(15)11-13/h6-7,11,16-17H,4-5,8-10H2,1-3H3
InChIKeyAGWPGZLIQKJFFE-UHFFFAOYSA-N
MW333.89 g/mol
LogP2.63
Rot. Bonds9

About 2-chloro-1-methyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene

2-chloro-1-methyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene (PubChem CID 106039174) has the molecular formula C14H24ClN3O2S and a molecular weight of 333.89 g/mol. Its IUPAC name is 2-chloro-1-methyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene.

Molecular Properties

Compound Name2-chloro-1-methyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene
PubChem CID106039174
Molecular FormulaC14H24ClN3O2S
Molecular Weight333.89 g/mol
Exact Mass333.13
IUPAC Name2-chloro-1-methyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene
SMILESCCCNCCCN(C)S(=O)(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C14H24ClN3O2S/c1-4-8-16-9-5-10-18(3)21(19,20)17-13-7-6-12(2)14(15)11-13/h6-7,11,16-17H,4-5,8-10H2,1-3H3
InChIKeyAGWPGZLIQKJFFE-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

1-chloro-3-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene
CID 106070684
1,2-dichloro-4-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene
CID 106059485
1-bromo-2-chloro-4-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene
CID 106090210
5-bromo-4-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine
CID 106070818
2-bromo-4-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-1-methylbenzene
CID 114134965
2,6-dimethyl-3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine
CID 106071151
2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine
CID 106082471
1-bromo-4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-fluorobenzene
CID 106067142
5-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpyridine
CID 106073291
1-methoxy-2-methyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106053283
1-chloro-3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylbenzene
CID 106057400
1-chloro-N-(3-chloro-4-methylphenyl)methanesulfonamide
CID 63665096

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene?
The IUPAC name of 2-chloro-1-methyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene (CID 106039174) is 2-chloro-1-methyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene.
What is the SMILES notation for 2-chloro-1-methyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene?
The canonical SMILES for 2-chloro-1-methyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene is CCCNCCCN(C)S(=O)(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of 2-chloro-1-methyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene?
The InChIKey is AGWPGZLIQKJFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O2S/c1-4-8-16-9-5-10-18(3)21(19,20)17-13-7-6-12(2)14(15)11-13/h6-7,11,16-17H,4-5,8-10H2,1-3H3.
What are the key properties of 2-chloro-1-methyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene?
2-chloro-1-methyl-4-[[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 2-chloro-1-methyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene is sourced from PubChem (CID 106039174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).