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

C14H24ClN3O2S — CID 106031151

IUPAC4-chloro-1-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene
SMILESCc1ccc(Cl)cc1NS(=O)(=O)N(C)CCCNC(C)C
InChIInChI=1S/C14H24ClN3O2S/c1-11(2)16-8-5-9-18(4)21(19,20)17-14-10-13(15)7-6-12(14)3/h6-7,10-11,16-17H,5,8-9H2,1-4H3
InChIKeyIMLZVDUKFKIITG-UHFFFAOYSA-N
MW333.89 g/mol
LogP2.63
Rot. Bonds8

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

4-chloro-1-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene (PubChem CID 106031151) has the molecular formula C14H24ClN3O2S and a molecular weight of 333.89 g/mol. Its IUPAC name is 4-chloro-1-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene.

Molecular Properties

Compound Name4-chloro-1-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene
PubChem CID106031151
Molecular FormulaC14H24ClN3O2S
Molecular Weight333.89 g/mol
Exact Mass333.13
IUPAC Name4-chloro-1-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene
SMILESCc1ccc(Cl)cc1NS(=O)(=O)N(C)CCCNC(C)C
InChIInChI=1S/C14H24ClN3O2S/c1-11(2)16-8-5-9-18(4)21(19,20)17-14-10-13(15)7-6-12(14)3/h6-7,10-11,16-17H,5,8-9H2,1-4H3
InChIKeyIMLZVDUKFKIITG-UHFFFAOYSA-N
XLogP2.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

1,4-difluoro-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene
CID 106058043
1,2-dichloro-4-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene
CID 106059485
4-chloro-2-(dimethylsulfamoylamino)-1-methylbenzene
CID 4635582
1-bromo-2-chloro-4-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene
CID 106090210
2-bromo-4-chloro-1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene
CID 114135273
N-(2,5-dichlorophenyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106037094
5-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]-1,3-thiazole
CID 106060954
2-bromo-4-chloro-1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]benzene
CID 106073444
2-chloro-5-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]thiophene
CID 106003836
N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102
2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethylbenzene
CID 106060187
3-[[butyl(methyl)sulfamoyl]amino]-4-methylbenzoic acid
CID 43351250

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene?
The IUPAC name of 4-chloro-1-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene (CID 106031151) is 4-chloro-1-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene.
What is the SMILES notation for 4-chloro-1-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene?
The canonical SMILES for 4-chloro-1-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene is Cc1ccc(Cl)cc1NS(=O)(=O)N(C)CCCNC(C)C.
What is the InChIKey of 4-chloro-1-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene?
The InChIKey is IMLZVDUKFKIITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O2S/c1-11(2)16-8-5-9-18(4)21(19,20)17-14-10-13(15)7-6-12(14)3/h6-7,10-11,16-17H,5,8-9H2,1-4H3.
What are the key properties of 4-chloro-1-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene?
4-chloro-1-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene has a molecular weight of 333.89 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene is sourced from PubChem (CID 106031151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).