[4-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]phenyl]urea

C18H19BrN4O4S — CID 26064816

IUPAC[4-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]phenyl]urea
SMILESNC(=O)Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)cc1
InChIInChI=1S/C18H19BrN4O4S/c19-14-2-1-3-16(12-14)28(26,27)23-10-8-22(9-11-23)17(24)13-4-6-15(7-5-13)21-18(20)25/h1-7,12H,8-11H2,(H3,20,21,25)
InChIKeyLWEISEXRJYXNAH-UHFFFAOYSA-N
MW467.35 g/mol
LogP2.09
Rot. Bonds4

About [4-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]phenyl]urea

[4-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]phenyl]urea (PubChem CID 26064816) has the molecular formula C18H19BrN4O4S and a molecular weight of 467.35 g/mol. Its IUPAC name is [4-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]phenyl]urea.

Molecular Properties

Compound Name[4-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]phenyl]urea
PubChem CID26064816
Molecular FormulaC18H19BrN4O4S
Molecular Weight467.35 g/mol
Exact Mass466.03
IUPAC Name[4-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]phenyl]urea
SMILESNC(=O)Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)cc1
InChIInChI=1S/C18H19BrN4O4S/c19-14-2-1-3-16(12-14)28(26,27)23-10-8-22(9-11-23)17(24)13-4-6-15(7-5-13)21-18(20)25/h1-7,12H,8-11H2,(H3,20,21,25)
InChIKeyLWEISEXRJYXNAH-UHFFFAOYSA-N
XLogP2.09
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]benzonitrile
CID 26559281
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(3,4-dichlorophenyl)methanone
CID 26559266
N-[3-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31239856
N-[4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide
CID 9369475
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 27829290
N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]benzamide
CID 46536984
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(5-bromothiophen-2-yl)methanone
CID 26559292
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 55344306
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(3-methyl-4-nitrophenyl)methanone
CID 26559298
N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 5295909
6-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 31239886
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 27829270

Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]phenyl]urea?
The IUPAC name of [4-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]phenyl]urea (CID 26064816) is [4-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]phenyl]urea.
What is the SMILES notation for [4-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]phenyl]urea?
The canonical SMILES for [4-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]phenyl]urea is NC(=O)Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)cc1.
What is the InChIKey of [4-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]phenyl]urea?
The InChIKey is LWEISEXRJYXNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O4S/c19-14-2-1-3-16(12-14)28(26,27)23-10-8-22(9-11-23)17(24)13-4-6-15(7-5-13)21-18(20)25/h1-7,12H,8-11H2,(H3,20,21,25).
What are the key properties of [4-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]phenyl]urea?
[4-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]phenyl]urea has a molecular weight of 467.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]phenyl]urea is sourced from PubChem (CID 26064816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).