1-(5-chloro-2-ethoxyphenyl)sulfonyl-3-phenylurea

C15H15ClN2O4S — CID 118729548

IUPAC1-(5-chloro-2-ethoxyphenyl)sulfonyl-3-phenylurea
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C15H15ClN2O4S/c1-2-22-13-9-8-11(16)10-14(13)23(20,21)18-15(19)17-12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H2,17,18,19)
InChIKeyJCEVRRCFHIHFBT-UHFFFAOYSA-N
MW354.82 g/mol
LogP3.25
Rot. Bonds5

About 1-(5-chloro-2-ethoxyphenyl)sulfonyl-3-phenylurea

1-(5-chloro-2-ethoxyphenyl)sulfonyl-3-phenylurea (PubChem CID 118729548) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is 1-(5-chloro-2-ethoxyphenyl)sulfonyl-3-phenylurea.

Molecular Properties

Compound Name1-(5-chloro-2-ethoxyphenyl)sulfonyl-3-phenylurea
PubChem CID118729548
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC Name1-(5-chloro-2-ethoxyphenyl)sulfonyl-3-phenylurea
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C15H15ClN2O4S/c1-2-22-13-9-8-11(16)10-14(13)23(20,21)18-15(19)17-12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H2,17,18,19)
InChIKeyJCEVRRCFHIHFBT-UHFFFAOYSA-N
XLogP3.25
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-chloro-2-ethoxyphenyl)sulfonylamino]benzoic acid
CID 15943963
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(4-chlorophenyl)-3-phenylpropanamide
CID 43890974
N-benzyl-5-chloro-2-ethoxybenzenesulfonamide
CID 2992012
4-[[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide
CID 43891017
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(4-methylphenyl)-3-phenylpropanamide
CID 43890957
5-chloro-2-ethoxy-N-(4-hydroxyphenyl)benzenesulfonamide
CID 138046171
4-[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanoylamino]benzamide
CID 43890408
5-chloro-2-ethoxy-N-pyridin-3-ylbenzenesulfonamide
CID 9267841
N-(4-bromophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanamide
CID 43890368
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanamide
CID 43890314
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-ethyl-3-phenylpropanamide
CID 43890925
methyl 4-[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanoylamino]benzoate
CID 43890406

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-ethoxyphenyl)sulfonyl-3-phenylurea?
The IUPAC name of 1-(5-chloro-2-ethoxyphenyl)sulfonyl-3-phenylurea (CID 118729548) is 1-(5-chloro-2-ethoxyphenyl)sulfonyl-3-phenylurea.
What is the SMILES notation for 1-(5-chloro-2-ethoxyphenyl)sulfonyl-3-phenylurea?
The canonical SMILES for 1-(5-chloro-2-ethoxyphenyl)sulfonyl-3-phenylurea is CCOc1ccc(Cl)cc1S(=O)(=O)NC(=O)Nc1ccccc1.
What is the InChIKey of 1-(5-chloro-2-ethoxyphenyl)sulfonyl-3-phenylurea?
The InChIKey is JCEVRRCFHIHFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-2-22-13-9-8-11(16)10-14(13)23(20,21)18-15(19)17-12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H2,17,18,19).
What are the key properties of 1-(5-chloro-2-ethoxyphenyl)sulfonyl-3-phenylurea?
1-(5-chloro-2-ethoxyphenyl)sulfonyl-3-phenylurea has a molecular weight of 354.82 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-ethoxyphenyl)sulfonyl-3-phenylurea is sourced from PubChem (CID 118729548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).