1-[[4-(3-chloroanilino)-3-pyridinyl]sulfonyl]-3-ethylurea

C14H15ClN4O3S — CID 1214489

IUPAC1-[[4-(3-chloroanilino)-3-pyridinyl]sulfonyl]-3-ethylurea
SMILESCCNC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(Cl)c1
InChIInChI=1S/C14H15ClN4O3S/c1-2-17-14(20)19-23(21,22)13-9-16-7-6-12(13)18-11-5-3-4-10(15)8-11/h3-9H,2H2,1H3,(H,16,18)(H2,17,19,20)
InChIKeyYBJOYWAMFILUAI-UHFFFAOYSA-N
MW354.82 g/mol
LogP2.49
Rot. Bonds5

About 1-[[4-(3-chloroanilino)-3-pyridinyl]sulfonyl]-3-ethylurea

1-[[4-(3-chloroanilino)-3-pyridinyl]sulfonyl]-3-ethylurea (PubChem CID 1214489) has the molecular formula C14H15ClN4O3S and a molecular weight of 354.82 g/mol. Its IUPAC name is 1-[[4-(3-chloroanilino)-3-pyridinyl]sulfonyl]-3-ethylurea.

Molecular Properties

Compound Name1-[[4-(3-chloroanilino)-3-pyridinyl]sulfonyl]-3-ethylurea
PubChem CID1214489
Molecular FormulaC14H15ClN4O3S
Molecular Weight354.82 g/mol
Exact Mass354.06
IUPAC Name1-[[4-(3-chloroanilino)-3-pyridinyl]sulfonyl]-3-ethylurea
SMILESCCNC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(Cl)c1
InChIInChI=1S/C14H15ClN4O3S/c1-2-17-14(20)19-23(21,22)13-9-16-7-6-12(13)18-11-5-3-4-10(15)8-11/h3-9H,2H2,1H3,(H,16,18)(H2,17,19,20)
InChIKeyYBJOYWAMFILUAI-UHFFFAOYSA-N
XLogP2.49
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-chloroanilino)-3-pyridinyl]sulfonyl]-3-ethylurea?
The IUPAC name of 1-[[4-(3-chloroanilino)-3-pyridinyl]sulfonyl]-3-ethylurea (CID 1214489) is 1-[[4-(3-chloroanilino)-3-pyridinyl]sulfonyl]-3-ethylurea.
What is the SMILES notation for 1-[[4-(3-chloroanilino)-3-pyridinyl]sulfonyl]-3-ethylurea?
The canonical SMILES for 1-[[4-(3-chloroanilino)-3-pyridinyl]sulfonyl]-3-ethylurea is CCNC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(Cl)c1.
What is the InChIKey of 1-[[4-(3-chloroanilino)-3-pyridinyl]sulfonyl]-3-ethylurea?
The InChIKey is YBJOYWAMFILUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O3S/c1-2-17-14(20)19-23(21,22)13-9-16-7-6-12(13)18-11-5-3-4-10(15)8-11/h3-9H,2H2,1H3,(H,16,18)(H2,17,19,20).
What are the key properties of 1-[[4-(3-chloroanilino)-3-pyridinyl]sulfonyl]-3-ethylurea?
1-[[4-(3-chloroanilino)-3-pyridinyl]sulfonyl]-3-ethylurea has a molecular weight of 354.82 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-chloroanilino)-3-pyridinyl]sulfonyl]-3-ethylurea is sourced from PubChem (CID 1214489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).