1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-3-ethylurea

C10H14BrN3O3S — CID 114626310

IUPAC1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-3-ethylurea
SMILESCCNC(=O)NS(=O)(=O)c1cc(N)c(Br)cc1C
InChIInChI=1S/C10H14BrN3O3S/c1-3-13-10(15)14-18(16,17)9-5-8(12)7(11)4-6(9)2/h4-5H,3,12H2,1-2H3,(H2,13,14,15)
InChIKeyPIHXVEICKJTBFV-UHFFFAOYSA-N
MW336.21 g/mol
LogP1.35
Rot. Bonds3

About 1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-3-ethylurea

1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-3-ethylurea (PubChem CID 114626310) has the molecular formula C10H14BrN3O3S and a molecular weight of 336.21 g/mol. Its IUPAC name is 1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-3-ethylurea.

Molecular Properties

Compound Name1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-3-ethylurea
PubChem CID114626310
Molecular FormulaC10H14BrN3O3S
Molecular Weight336.21 g/mol
Exact Mass334.99
IUPAC Name1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-3-ethylurea
SMILESCCNC(=O)NS(=O)(=O)c1cc(N)c(Br)cc1C
InChIInChI=1S/C10H14BrN3O3S/c1-3-13-10(15)14-18(16,17)9-5-8(12)7(11)4-6(9)2/h4-5H,3,12H2,1-2H3,(H2,13,14,15)
InChIKeyPIHXVEICKJTBFV-UHFFFAOYSA-N
XLogP1.35
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 51.35
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

1-(4-amino-3-bromophenyl)sulfonyl-3-ethylurea
CID 116645966
1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propylurea
CID 116645848
5-amino-4-bromo-2-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 114625611
2-[(5-amino-4-bromo-2-methylphenyl)sulfonylamino]-N,N-diethylacetamide
CID 114626087
3-[(5-amino-4-bromo-2-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 106095460
1-(5-amino-2-chloro-4-methylphenyl)sulfonyl-3-butylurea
CID 116645763
5-amino-4-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylbenzenesulfonamide
CID 106249898
1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-3-propan-2-ylurea
CID 116646379
5-amino-4-bromo-N-(2-ethoxy-2-methylpropyl)-2-methylbenzenesulfonamide
CID 114940420
1-(4-aminophenyl)sulfonyl-3-ethylurea
CID 116645895
5-amino-4-bromo-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzenesulfonamide
CID 114625595
1-(5-amino-2-bromophenyl)sulfonyl-3-butylurea
CID 116645811

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-3-ethylurea?
The IUPAC name of 1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-3-ethylurea (CID 114626310) is 1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-3-ethylurea.
What is the SMILES notation for 1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-3-ethylurea?
The canonical SMILES for 1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-3-ethylurea is CCNC(=O)NS(=O)(=O)c1cc(N)c(Br)cc1C.
What is the InChIKey of 1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-3-ethylurea?
The InChIKey is PIHXVEICKJTBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O3S/c1-3-13-10(15)14-18(16,17)9-5-8(12)7(11)4-6(9)2/h4-5H,3,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-3-ethylurea?
1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-3-ethylurea has a molecular weight of 336.21 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-3-ethylurea is sourced from PubChem (CID 114626310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).