1,3-dichloro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene

C10H14Cl2N2O3S — CID 114132444

IUPAC1,3-dichloro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene
SMILESCN(CCCO)S(=O)(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H14Cl2N2O3S/c1-14(3-2-4-15)18(16,17)13-10-6-8(11)5-9(12)7-10/h5-7,13,15H,2-4H2,1H3
InChIKeyZGLAANUMRNBGNS-UHFFFAOYSA-N
MW313.21 g/mol
LogP1.96
Rot. Bonds6

About 1,3-dichloro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene

1,3-dichloro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene (PubChem CID 114132444) has the molecular formula C10H14Cl2N2O3S and a molecular weight of 313.21 g/mol. Its IUPAC name is 1,3-dichloro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene.

Molecular Properties

Compound Name1,3-dichloro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene
PubChem CID114132444
Molecular FormulaC10H14Cl2N2O3S
Molecular Weight313.21 g/mol
Exact Mass312.01
IUPAC Name1,3-dichloro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene
SMILESCN(CCCO)S(=O)(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H14Cl2N2O3S/c1-14(3-2-4-15)18(16,17)13-10-6-8(11)5-9(12)7-10/h5-7,13,15H,2-4H2,1H3
InChIKeyZGLAANUMRNBGNS-UHFFFAOYSA-N
XLogP1.96
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3,5-dichlorobenzene
CID 106058979
2-bromo-4-chloro-1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene
CID 114135273
1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-methoxybenzene
CID 114132190
2-bromo-4-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-1-methylbenzene
CID 114134965
1-chloro-2-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-iodobenzene
CID 114261610
1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-2,4-dimethylbenzene
CID 114132823
3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755430
1,2-dichloro-4-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene
CID 106059485
2-chloro-1-methyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene
CID 106039174
1-[[butyl(methyl)sulfamoyl]amino]-3-(hydroxymethyl)benzene
CID 54898316
1,2,4-trichloro-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106057712
1-bromo-2-chloro-4-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene
CID 106090210

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene?
The IUPAC name of 1,3-dichloro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene (CID 114132444) is 1,3-dichloro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene.
What is the SMILES notation for 1,3-dichloro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene?
The canonical SMILES for 1,3-dichloro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene is CN(CCCO)S(=O)(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1,3-dichloro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene?
The InChIKey is ZGLAANUMRNBGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O3S/c1-14(3-2-4-15)18(16,17)13-10-6-8(11)5-9(12)7-10/h5-7,13,15H,2-4H2,1H3.
What are the key properties of 1,3-dichloro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene?
1,3-dichloro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene has a molecular weight of 313.21 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene is sourced from PubChem (CID 114132444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).