2-bromo-4-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-1-methylbenzene

C11H17BrN2O3S — CID 114134965

IUPAC2-bromo-4-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-1-methylbenzene
SMILESCc1ccc(NS(=O)(=O)N(C)CCCO)cc1Br
InChIInChI=1S/C11H17BrN2O3S/c1-9-4-5-10(8-11(9)12)13-18(16,17)14(2)6-3-7-15/h4-5,8,13,15H,3,6-7H2,1-2H3
InChIKeyMZDTUTCIULKYNJ-UHFFFAOYSA-N
MW337.24 g/mol
LogP1.73
Rot. Bonds6

About 2-bromo-4-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-1-methylbenzene

2-bromo-4-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-1-methylbenzene (PubChem CID 114134965) has the molecular formula C11H17BrN2O3S and a molecular weight of 337.24 g/mol. Its IUPAC name is 2-bromo-4-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-1-methylbenzene.

Molecular Properties

Compound Name2-bromo-4-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-1-methylbenzene
PubChem CID114134965
Molecular FormulaC11H17BrN2O3S
Molecular Weight337.24 g/mol
Exact Mass336.01
IUPAC Name2-bromo-4-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-1-methylbenzene
SMILESCc1ccc(NS(=O)(=O)N(C)CCCO)cc1Br
InChIInChI=1S/C11H17BrN2O3S/c1-9-4-5-10(8-11(9)12)13-18(16,17)14(2)6-3-7-15/h4-5,8,13,15H,3,6-7H2,1-2H3
InChIKeyMZDTUTCIULKYNJ-UHFFFAOYSA-N
XLogP1.73
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-(dimethylsulfamoylamino)-1-methylbenzene
CID 63334388
2-bromo-1-fluoro-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106078274
1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-methoxybenzene
CID 114132190
1,3-dichloro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene
CID 114132444
1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-2,4-dimethylbenzene
CID 114132823
2-bromo-4-chloro-1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene
CID 114135273
1-bromo-4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-fluorobenzene
CID 106067142
1-bromo-2-chloro-4-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene
CID 106090210
3-(3-bromo-4-methylphenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea
CID 111925952
1-methoxy-2-methyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106053283
2-bromo-5-[[butyl(methyl)sulfamoyl]amino]benzoic acid
CID 115296004
2-chloro-1-methyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene
CID 106039174

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-1-methylbenzene?
The IUPAC name of 2-bromo-4-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-1-methylbenzene (CID 114134965) is 2-bromo-4-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-1-methylbenzene.
What is the SMILES notation for 2-bromo-4-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-1-methylbenzene?
The canonical SMILES for 2-bromo-4-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-1-methylbenzene is Cc1ccc(NS(=O)(=O)N(C)CCCO)cc1Br.
What is the InChIKey of 2-bromo-4-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-1-methylbenzene?
The InChIKey is MZDTUTCIULKYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O3S/c1-9-4-5-10(8-11(9)12)13-18(16,17)14(2)6-3-7-15/h4-5,8,13,15H,3,6-7H2,1-2H3.
What are the key properties of 2-bromo-4-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-1-methylbenzene?
2-bromo-4-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-1-methylbenzene has a molecular weight of 337.24 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-1-methylbenzene is sourced from PubChem (CID 114134965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).