1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-3-[(4-fluorophenyl)methyl]urea

C18H15ClFN3O3S2 — CID 44759858

IUPAC1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-3-[(4-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccc(F)cc1)Nc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C18H15ClFN3O3S2/c19-16-9-10-17(27-16)28(25,26)23-15-7-5-14(6-8-15)22-18(24)21-11-12-1-3-13(20)4-2-12/h1-10,23H,11H2,(H2,21,22,24)
InChIKeySOKJAXUYCVCMNF-UHFFFAOYSA-N
MW439.92 g/mol
LogP4.66
Rot. Bonds6

About 1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-3-[(4-fluorophenyl)methyl]urea

1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-3-[(4-fluorophenyl)methyl]urea (PubChem CID 44759858) has the molecular formula C18H15ClFN3O3S2 and a molecular weight of 439.92 g/mol. Its IUPAC name is 1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-3-[(4-fluorophenyl)methyl]urea
PubChem CID44759858
Molecular FormulaC18H15ClFN3O3S2
Molecular Weight439.92 g/mol
Exact Mass439.02
IUPAC Name1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-3-[(4-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccc(F)cc1)Nc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C18H15ClFN3O3S2/c19-16-9-10-17(27-16)28(25,26)23-15-7-5-14(6-8-15)22-18(24)21-11-12-1-3-13(20)4-2-12/h1-10,23H,11H2,(H2,21,22,24)
InChIKeySOKJAXUYCVCMNF-UHFFFAOYSA-N
XLogP4.66
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]propanamide
CID 156825130
methyl 4-[[[2-[4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoyl]oxyacetyl]amino]methyl]benzoate
CID 25042935
5-chloro-N-[4-(sulfamoylmethyl)phenyl]thiophene-2-sulfonamide
CID 24650329
1-[4-[(4-fluorophenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135231176
4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate
CID 7040231
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 24638119
5-chloro-N-[4-(trifluoromethylsulfonyl)phenyl]thiophene-2-sulfonamide
CID 166200870
1-(4-amino-3-chlorophenyl)-3-[(4-fluorophenyl)methyl]urea
CID 108867663
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-[(4-fluorophenyl)methyl]urea
CID 108988928
1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-N-ethylcyclobutane-1-carboxamide
CID 46384149
5-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 22205412
5-chloro-N-[4-(2-phenylethylamino)phenyl]thiophene-2-sulfonamide
CID 112983289

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-3-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-3-[(4-fluorophenyl)methyl]urea (CID 44759858) is 1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-3-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-3-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-3-[(4-fluorophenyl)methyl]urea is O=C(NCc1ccc(F)cc1)Nc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1.
What is the InChIKey of 1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-3-[(4-fluorophenyl)methyl]urea?
The InChIKey is SOKJAXUYCVCMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O3S2/c19-16-9-10-17(27-16)28(25,26)23-15-7-5-14(6-8-15)22-18(24)21-11-12-1-3-13(20)4-2-12/h1-10,23H,11H2,(H2,21,22,24).
What are the key properties of 1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-3-[(4-fluorophenyl)methyl]urea?
1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 439.92 g/mol, XLogP of 4.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-3-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 44759858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).