[3-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]urea

C13H11ClFN3O3S — CID 36510536

IUPAC[3-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]urea
SMILESNC(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2F)c1
InChIInChI=1S/C13H11ClFN3O3S/c14-8-4-5-12(11(15)6-8)22(20,21)18-10-3-1-2-9(7-10)17-13(16)19/h1-7,18H,(H3,16,17,19)
InChIKeyKWDXDJAWWBHGKV-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.77
Rot. Bonds4

About [3-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]urea

[3-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]urea (PubChem CID 36510536) has the molecular formula C13H11ClFN3O3S and a molecular weight of 343.77 g/mol. Its IUPAC name is [3-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]urea.

Molecular Properties

Compound Name[3-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]urea
PubChem CID36510536
Molecular FormulaC13H11ClFN3O3S
Molecular Weight343.77 g/mol
Exact Mass343.02
IUPAC Name[3-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]urea
SMILESNC(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2F)c1
InChIInChI=1S/C13H11ClFN3O3S/c14-8-4-5-12(11(15)6-8)22(20,21)18-10-3-1-2-9(7-10)17-13(16)19/h1-7,18H,(H3,16,17,19)
InChIKeyKWDXDJAWWBHGKV-UHFFFAOYSA-N
XLogP2.77
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 4849983
[3-[(2-bromophenyl)sulfonylamino]phenyl]urea
CID 36510716
2-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide
CID 4793321
2,2-dimethyl-N-[3-[(2,3,4-trifluorophenyl)sulfonylamino]phenyl]propanamide
CID 24656547
3-[(2-amino-5-chlorophenyl)sulfonylamino]benzamide
CID 61107535
3-amino-4-[(3-chlorophenyl)sulfamoyl]benzamide
CID 81452826
N-(3-acetylphenyl)-2,4-difluorobenzenesulfonamide
CID 3836234
N-[3-[(4-chloro-2-fluorophenyl)sulfonylamino]-4-methylphenyl]acetamide
CID 47062928
[3-[(5-bromo-2-methylphenyl)sulfonylamino]phenyl]urea
CID 36511162
[3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]urea
CID 36510490
(3-chlorophenyl)urea;1,2-xylene
CID 70502289
4-[(4-chloro-2-methylphenyl)sulfonylamino]benzamide
CID 60532889

Frequently Asked Questions

What is the IUPAC name of [3-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]urea?
The IUPAC name of [3-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]urea (CID 36510536) is [3-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]urea.
What is the SMILES notation for [3-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]urea?
The canonical SMILES for [3-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]urea is NC(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2F)c1.
What is the InChIKey of [3-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]urea?
The InChIKey is KWDXDJAWWBHGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O3S/c14-8-4-5-12(11(15)6-8)22(20,21)18-10-3-1-2-9(7-10)17-13(16)19/h1-7,18H,(H3,16,17,19).
What are the key properties of [3-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]urea?
[3-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]urea has a molecular weight of 343.77 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]urea is sourced from PubChem (CID 36510536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).