[4-chloro-3-(dimethylsulfamoyl)-2-hydroxyphenyl]urea

C9H12ClN3O4S — CID 87695533

IUPAC[4-chloro-3-(dimethylsulfamoyl)-2-hydroxyphenyl]urea
SMILESCN(C)S(=O)(=O)c1c(Cl)ccc(NC(N)=O)c1O
InChIInChI=1S/C9H12ClN3O4S/c1-13(2)18(16,17)8-5(10)3-4-6(7(8)14)12-9(11)15/h3-4,14H,1-2H3,(H3,11,12,15)
InChIKeyCZQRQCYIVVDBAL-UHFFFAOYSA-N
MW293.73 g/mol
LogP0.79
Rot. Bonds3

About [4-chloro-3-(dimethylsulfamoyl)-2-hydroxyphenyl]urea

[4-chloro-3-(dimethylsulfamoyl)-2-hydroxyphenyl]urea (PubChem CID 87695533) has the molecular formula C9H12ClN3O4S and a molecular weight of 293.73 g/mol. Its IUPAC name is [4-chloro-3-(dimethylsulfamoyl)-2-hydroxyphenyl]urea.

Molecular Properties

Compound Name[4-chloro-3-(dimethylsulfamoyl)-2-hydroxyphenyl]urea
PubChem CID87695533
Molecular FormulaC9H12ClN3O4S
Molecular Weight293.73 g/mol
Exact Mass293.02
IUPAC Name[4-chloro-3-(dimethylsulfamoyl)-2-hydroxyphenyl]urea
SMILESCN(C)S(=O)(=O)c1c(Cl)ccc(NC(N)=O)c1O
InChIInChI=1S/C9H12ClN3O4S/c1-13(2)18(16,17)8-5(10)3-4-6(7(8)14)12-9(11)15/h3-4,14H,1-2H3,(H3,11,12,15)
InChIKeyCZQRQCYIVVDBAL-UHFFFAOYSA-N
XLogP0.79
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-[4-chloro-3-(dimethylsulfamoyl)-2-hydroxyphenyl]-3-(2,3-difluorophenyl)thiourea
CID 23447801
6-chloro-3-[[2,3-dioxo-4-(2-propan-2-ylanilino)cyclobutyl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide
CID 163200875
6-chloro-3-[[3,4-dioxo-2-[(1-phenylcyclopentyl)amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide
CID 137479511
6-chloro-3-[[2-[(1-cyclopropylcyclopropyl)amino]-3,4-dioxocyclobutyl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide
CID 163200897
6-chloro-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-phenylpropyl]amino]-1,2,5-oxadiazol-3-yl]amino]benzenesulfonamide
CID 135458375
3-[[2-[(1-benzylcyclobutyl)amino]-3,4-dioxocyclobutyl]amino]-6-chloro-2-hydroxy-N,N-dimethylbenzenesulfonamide
CID 163200907
6-chloro-3-[[2-[[2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide
CID 137479548
2,5-dichloro-N-[2-(dimethylsulfamoyl)phenyl]benzamide
CID 55984214
1-(2-bromophenyl)-1-[4-chloro-3-(dimethylsulfamoyl)-2-hydroxyphenyl]-2-propylguanidine
CID 67528685
6-chloro-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide
CID 135458373
6-chloro-3-[[4-[(1R)-2,2-dimethyl-1-phenylpropyl]imino-1-oxido-1,2,5-thiadiazol-1-ium-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide
CID 173479186
2-chloro-N-(2-chlorophenyl)-5-(dimethylsulfamoyl)benzamide
CID 1310418

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-(dimethylsulfamoyl)-2-hydroxyphenyl]urea?
The IUPAC name of [4-chloro-3-(dimethylsulfamoyl)-2-hydroxyphenyl]urea (CID 87695533) is [4-chloro-3-(dimethylsulfamoyl)-2-hydroxyphenyl]urea.
What is the SMILES notation for [4-chloro-3-(dimethylsulfamoyl)-2-hydroxyphenyl]urea?
The canonical SMILES for [4-chloro-3-(dimethylsulfamoyl)-2-hydroxyphenyl]urea is CN(C)S(=O)(=O)c1c(Cl)ccc(NC(N)=O)c1O.
What is the InChIKey of [4-chloro-3-(dimethylsulfamoyl)-2-hydroxyphenyl]urea?
The InChIKey is CZQRQCYIVVDBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O4S/c1-13(2)18(16,17)8-5(10)3-4-6(7(8)14)12-9(11)15/h3-4,14H,1-2H3,(H3,11,12,15).
What are the key properties of [4-chloro-3-(dimethylsulfamoyl)-2-hydroxyphenyl]urea?
[4-chloro-3-(dimethylsulfamoyl)-2-hydroxyphenyl]urea has a molecular weight of 293.73 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-(dimethylsulfamoyl)-2-hydroxyphenyl]urea is sourced from PubChem (CID 87695533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).