1-(4-amino-2-chlorophenyl)sulfonyl-3-methylurea

C8H10ClN3O3S — CID 116646022

IUPAC1-(4-amino-2-chlorophenyl)sulfonyl-3-methylurea
SMILESCNC(=O)NS(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C8H10ClN3O3S/c1-11-8(13)12-16(14,15)7-3-2-5(10)4-6(7)9/h2-4H,10H2,1H3,(H2,11,12,13)
InChIKeySRZYQXBRIHFXJX-UHFFFAOYSA-N
MW263.71 g/mol
LogP0.54
Rot. Bonds2

About 1-(4-amino-2-chlorophenyl)sulfonyl-3-methylurea

1-(4-amino-2-chlorophenyl)sulfonyl-3-methylurea (PubChem CID 116646022) has the molecular formula C8H10ClN3O3S and a molecular weight of 263.71 g/mol. Its IUPAC name is 1-(4-amino-2-chlorophenyl)sulfonyl-3-methylurea.

Molecular Properties

Compound Name1-(4-amino-2-chlorophenyl)sulfonyl-3-methylurea
PubChem CID116646022
Molecular FormulaC8H10ClN3O3S
Molecular Weight263.71 g/mol
Exact Mass263.01
IUPAC Name1-(4-amino-2-chlorophenyl)sulfonyl-3-methylurea
SMILESCNC(=O)NS(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C8H10ClN3O3S/c1-11-8(13)12-16(14,15)7-3-2-5(10)4-6(7)9/h2-4H,10H2,1H3,(H2,11,12,13)
InChIKeySRZYQXBRIHFXJX-UHFFFAOYSA-N
XLogP0.54
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.71
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012665
4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 65470012
N-(5-amino-2-chlorophenyl)sulfonylacetamide
CID 90103999
1-(2-aminophenyl)sulfonyl-3-methylurea
CID 116645969
4-amino-2-chlorobenzenesulfonamide
CID 12533522
4-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63980942
4-amino-2-chloro-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467087
4-amino-2-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide
CID 64569597
2-(4-amino-2-chlorophenyl)sulfonyl-N-carbamoylacetamide
CID 81181899
4-amino-2-chloro-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 43372042
4-amino-2-chloro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61393032
4-amino-2-chloro-N-(2-hydroxy-2-methylpentyl)benzenesulfonamide
CID 106289599

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-chlorophenyl)sulfonyl-3-methylurea?
The IUPAC name of 1-(4-amino-2-chlorophenyl)sulfonyl-3-methylurea (CID 116646022) is 1-(4-amino-2-chlorophenyl)sulfonyl-3-methylurea.
What is the SMILES notation for 1-(4-amino-2-chlorophenyl)sulfonyl-3-methylurea?
The canonical SMILES for 1-(4-amino-2-chlorophenyl)sulfonyl-3-methylurea is CNC(=O)NS(=O)(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 1-(4-amino-2-chlorophenyl)sulfonyl-3-methylurea?
The InChIKey is SRZYQXBRIHFXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O3S/c1-11-8(13)12-16(14,15)7-3-2-5(10)4-6(7)9/h2-4H,10H2,1H3,(H2,11,12,13).
What are the key properties of 1-(4-amino-2-chlorophenyl)sulfonyl-3-methylurea?
1-(4-amino-2-chlorophenyl)sulfonyl-3-methylurea has a molecular weight of 263.71 g/mol, XLogP of 0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-chlorophenyl)sulfonyl-3-methylurea is sourced from PubChem (CID 116646022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).