1-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-(4-chlorophenyl)urea

C18H19BrClN3O3S — CID 3339972

IUPAC1-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-(4-chlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C18H19BrClN3O3S/c19-13-1-7-17(8-2-13)27(25,26)23-11-9-16(10-12-23)22-18(24)21-15-5-3-14(20)4-6-15/h1-8,16H,9-12H2,(H2,21,22,24)
InChIKeyLCQULWHIXWUVEC-UHFFFAOYSA-N
MW472.79 g/mol
LogP4.08
Rot. Bonds4

About 1-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-(4-chlorophenyl)urea

1-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-(4-chlorophenyl)urea (PubChem CID 3339972) has the molecular formula C18H19BrClN3O3S and a molecular weight of 472.79 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-(4-chlorophenyl)urea
PubChem CID3339972
Molecular FormulaC18H19BrClN3O3S
Molecular Weight472.79 g/mol
Exact Mass471.00
IUPAC Name1-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-(4-chlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C18H19BrClN3O3S/c19-13-1-7-17(8-2-13)27(25,26)23-11-9-16(10-12-23)22-18(24)21-15-5-3-14(20)4-6-15/h1-8,16H,9-12H2,(H2,21,22,24)
InChIKeyLCQULWHIXWUVEC-UHFFFAOYSA-N
XLogP4.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.79
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 24899022
N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 24612546
2-[4-[(4-chlorophenyl)carbamoylamino]piperidin-1-yl]sulfonylbenzoic acid
CID 90989791
1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)urea
CID 1011433
(3S)-1-(4-bromophenyl)sulfonyl-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 126381630
N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]pyrrolidine-1-carboxamide
CID 1477706
1-(2,4-dichlorophenyl)-3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]urea
CID 3562031
1-(3-chloro-4-fluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 110706232
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979815
N-(4-acetamidophenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide
CID 1316590
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-cyclopropylacetamide
CID 46294933
N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-fluorobenzamide
CID 35400948

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-(4-chlorophenyl)urea (CID 3339972) is 1-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-(4-chlorophenyl)urea is O=C(Nc1ccc(Cl)cc1)NC1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-(4-chlorophenyl)urea?
The InChIKey is LCQULWHIXWUVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClN3O3S/c19-13-1-7-17(8-2-13)27(25,26)23-11-9-16(10-12-23)22-18(24)21-15-5-3-14(20)4-6-15/h1-8,16H,9-12H2,(H2,21,22,24).
What are the key properties of 1-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-(4-chlorophenyl)urea?
1-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-(4-chlorophenyl)urea has a molecular weight of 472.79 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 3339972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).