1-[4-(butan-2-ylsulfamoyl)phenyl]-3-(4-chlorophenyl)urea

C17H20ClN3O3S — CID 17160150

IUPAC1-[4-(butan-2-ylsulfamoyl)phenyl]-3-(4-chlorophenyl)urea
SMILESCCC(C)NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClN3O3S/c1-3-12(2)21-25(23,24)16-10-8-15(9-11-16)20-17(22)19-14-6-4-13(18)5-7-14/h4-12,21H,3H2,1-2H3,(H2,19,20,22)
InChIKeyYNHCGVOCSQWQPE-UHFFFAOYSA-N
MW381.89 g/mol
LogP4.06
Rot. Bonds6

About 1-[4-(butan-2-ylsulfamoyl)phenyl]-3-(4-chlorophenyl)urea

1-[4-(butan-2-ylsulfamoyl)phenyl]-3-(4-chlorophenyl)urea (PubChem CID 17160150) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is 1-[4-(butan-2-ylsulfamoyl)phenyl]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[4-(butan-2-ylsulfamoyl)phenyl]-3-(4-chlorophenyl)urea
PubChem CID17160150
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC Name1-[4-(butan-2-ylsulfamoyl)phenyl]-3-(4-chlorophenyl)urea
SMILESCCC(C)NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClN3O3S/c1-3-12(2)21-25(23,24)16-10-8-15(9-11-16)20-17(22)19-14-6-4-13(18)5-7-14/h4-12,21H,3H2,1-2H3,(H2,19,20,22)
InChIKeyYNHCGVOCSQWQPE-UHFFFAOYSA-N
XLogP4.06
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide
CID 46529057
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]butanamide
CID 51566560
(E)-N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide
CID 17195825
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-ethoxyacetamide
CID 4530095
4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 4924513
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide
CID 4209013
(2S,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 6541721
N-butan-2-yl-4-hydrazinylbenzenesulfonamide
CID 43454951
4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944

Frequently Asked Questions

What is the IUPAC name of 1-[4-(butan-2-ylsulfamoyl)phenyl]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[4-(butan-2-ylsulfamoyl)phenyl]-3-(4-chlorophenyl)urea (CID 17160150) is 1-[4-(butan-2-ylsulfamoyl)phenyl]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[4-(butan-2-ylsulfamoyl)phenyl]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[4-(butan-2-ylsulfamoyl)phenyl]-3-(4-chlorophenyl)urea is CCC(C)NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-(butan-2-ylsulfamoyl)phenyl]-3-(4-chlorophenyl)urea?
The InChIKey is YNHCGVOCSQWQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c1-3-12(2)21-25(23,24)16-10-8-15(9-11-16)20-17(22)19-14-6-4-13(18)5-7-14/h4-12,21H,3H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[4-(butan-2-ylsulfamoyl)phenyl]-3-(4-chlorophenyl)urea?
1-[4-(butan-2-ylsulfamoyl)phenyl]-3-(4-chlorophenyl)urea has a molecular weight of 381.89 g/mol, XLogP of 4.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(butan-2-ylsulfamoyl)phenyl]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 17160150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).