1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)urea

C9H12ClN3O3S — CID 6610584

IUPAC1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)urea
SMILESCN(C)NC(=O)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C9H12ClN3O3S/c1-13(2)11-9(14)12-17(15,16)8-6-4-3-5-7(8)10/h3-6H,1-2H3,(H2,11,12,14)
InChIKeyMAQXGHXGALPZET-UHFFFAOYSA-N
MW277.73 g/mol
LogP0.80
Rot. Bonds3

About 1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)urea

1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)urea (PubChem CID 6610584) has the molecular formula C9H12ClN3O3S and a molecular weight of 277.73 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)urea
PubChem CID6610584
Molecular FormulaC9H12ClN3O3S
Molecular Weight277.73 g/mol
Exact Mass277.03
IUPAC Name1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)urea
SMILESCN(C)NC(=O)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C9H12ClN3O3S/c1-13(2)11-9(14)12-17(15,16)8-6-4-3-5-7(8)10/h3-6H,1-2H3,(H2,11,12,14)
InChIKeyMAQXGHXGALPZET-UHFFFAOYSA-N
XLogP0.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-3-(2-chlorophenyl)sulfonylurea
CID 744684
ethyl 2-[(2-chlorophenyl)sulfonylcarbamoylamino]acetate
CID 134112880
1-[[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]-3-(2-chlorophenyl)sulfonylurea
CID 110192008
(Z)-N-(2-chlorophenyl)sulfonyl-2-(propan-2-ylideneamino)but-2-enamide
CID 142342265
1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-3-(2-chlorophenyl)sulfonylurea
CID 134116858
4-(dimethylaminocarbamoylsulfamoyl)thiophene-3-carboxylic acid
CID 19693756
2-[(2-chlorophenyl)sulfonylcarbamoylamino]-N-(3,4-dihydroxyphenyl)-N-methyl-3-phenylpropanamide
CID 123978616
2-chloro-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzenesulfonamide
CID 113066442
N-(2-chlorophenyl)sulfonyl-3-methoxybenzamide
CID 139085848
2-chloro-N-[methyl(methylidene)-λ4-sulfanyl]benzenesulfonamide
CID 117061466
2-chloro-N-[(2S)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832456
tert-butyl N-[(2-chlorophenyl)sulfonylamino]carbamate
CID 8500976

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)urea?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)urea (CID 6610584) is 1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)urea.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)urea?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)urea is CN(C)NC(=O)NS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)urea?
The InChIKey is MAQXGHXGALPZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O3S/c1-13(2)11-9(14)12-17(15,16)8-6-4-3-5-7(8)10/h3-6H,1-2H3,(H2,11,12,14).
What are the key properties of 1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)urea?
1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)urea has a molecular weight of 277.73 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-3-(dimethylamino)urea is sourced from PubChem (CID 6610584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).