1-[[4-(3-chloro-4-hydroxyanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea

C15H17ClN4O4S — CID 172970649

IUPAC1-[[4-(3-chloro-4-hydroxyanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C15H17ClN4O4S/c1-9(2)18-15(22)20-25(23,24)14-8-17-6-5-12(14)19-10-3-4-13(21)11(16)7-10/h3-9,21H,1-2H3,(H,17,19)(H2,18,20,22)
InChIKeyFOVANOQJFYZGMI-UHFFFAOYSA-N
MW384.85 g/mol
LogP2.58
Rot. Bonds5

About 1-[[4-(3-chloro-4-hydroxyanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea

1-[[4-(3-chloro-4-hydroxyanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea (PubChem CID 172970649) has the molecular formula C15H17ClN4O4S and a molecular weight of 384.85 g/mol. Its IUPAC name is 1-[[4-(3-chloro-4-hydroxyanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[[4-(3-chloro-4-hydroxyanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea
PubChem CID172970649
Molecular FormulaC15H17ClN4O4S
Molecular Weight384.85 g/mol
Exact Mass384.07
IUPAC Name1-[[4-(3-chloro-4-hydroxyanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C15H17ClN4O4S/c1-9(2)18-15(22)20-25(23,24)14-8-17-6-5-12(14)19-10-3-4-13(21)11(16)7-10/h3-9,21H,1-2H3,(H,17,19)(H2,18,20,22)
InChIKeyFOVANOQJFYZGMI-UHFFFAOYSA-N
XLogP2.58
TPSA120.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

lithium;hydride;1-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea;hydrate
CID 173249221
1-benzhydryl-3-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]urea
CID 12655483
1-[(4-methyl-3-pyridinyl)sulfonyl]-3-propan-2-ylurea
CID 91248865
1-[(4-amino-3-pyridinyl)sulfonyl]-3-propan-2-ylurea
CID 142675963
1-(3-chloro-4-hydroxyphenyl)-3-(3-fluoro-4-pyridinyl)urea
CID 99832161
4-chloro-N-[[4-(3,5-dichloroanilino)-3-pyridinyl]sulfonyl]benzamide
CID 25048254
4-[4-chloro-3-(trifluoromethyl)anilino]pyridine-3-sulfonamide
CID 45035603
1-[1-(methoxymethyl)-4-(3-methylanilino)pyridin-1-ium-3-yl]sulfonyl-3-propan-2-ylurea chloride
CID 172970621
1-[(4-chloro-3-pyridinyl)sulfamoyl]-N-propan-2-ylformamide
CID 88643816
4-(3-chloro-4-methylanilino)pyridine-3-carboxylic acid
CID 81232618
1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788304
N-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide;4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide;1-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea;4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid
CID 173165662

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-chloro-4-hydroxyanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea?
The IUPAC name of 1-[[4-(3-chloro-4-hydroxyanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea (CID 172970649) is 1-[[4-(3-chloro-4-hydroxyanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[[4-(3-chloro-4-hydroxyanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[[4-(3-chloro-4-hydroxyanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea is CC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc1ccc(O)c(Cl)c1.
What is the InChIKey of 1-[[4-(3-chloro-4-hydroxyanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea?
The InChIKey is FOVANOQJFYZGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O4S/c1-9(2)18-15(22)20-25(23,24)14-8-17-6-5-12(14)19-10-3-4-13(21)11(16)7-10/h3-9,21H,1-2H3,(H,17,19)(H2,18,20,22).
What are the key properties of 1-[[4-(3-chloro-4-hydroxyanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea?
1-[[4-(3-chloro-4-hydroxyanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea has a molecular weight of 384.85 g/mol, XLogP of 2.58, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-chloro-4-hydroxyanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea is sourced from PubChem (CID 172970649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).