1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-methylurea

C14H13ClFN3O3S — CID 134040533

IUPAC1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C14H13ClFN3O3S/c1-17-14(20)18-10-3-5-11(6-4-10)19-23(21,22)13-7-2-9(16)8-12(13)15/h2-8,19H,1H3,(H2,17,18,20)
InChIKeyHWCRTZTWXIXAMR-UHFFFAOYSA-N
MW357.79 g/mol
LogP3.03
Rot. Bonds4

About 1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-methylurea

1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-methylurea (PubChem CID 134040533) has the molecular formula C14H13ClFN3O3S and a molecular weight of 357.79 g/mol. Its IUPAC name is 1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-methylurea
PubChem CID134040533
Molecular FormulaC14H13ClFN3O3S
Molecular Weight357.79 g/mol
Exact Mass357.04
IUPAC Name1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C14H13ClFN3O3S/c1-17-14(20)18-10-3-5-11(6-4-10)19-23(21,22)13-7-2-9(16)8-12(13)15/h2-8,19H,1H3,(H2,17,18,20)
InChIKeyHWCRTZTWXIXAMR-UHFFFAOYSA-N
XLogP3.03
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-cyclopropylurea
CID 134040540
2-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-5-methylbenzene-1,3-dicarboxylic acid
CID 175257784
2-chloro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 24629200
1-cyclopropyl-3-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]urea
CID 134017661
1-[4-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]phenyl]-3-methylurea
CID 55521125
1-cyclopropyl-3-[4-[(2,4-difluorophenyl)sulfonylamino]phenyl]urea
CID 134025769
3-[(2-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethylbenzamide
CID 134040441
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-3-methylurea
CID 46518710
2-chloro-4-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 47154361
1-methyl-3-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]urea
CID 61275594
3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936858
N-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 32677158

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-methylurea?
The IUPAC name of 1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-methylurea (CID 134040533) is 1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-methylurea.
What is the SMILES notation for 1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-methylurea?
The canonical SMILES for 1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-methylurea is CNC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1.
What is the InChIKey of 1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-methylurea?
The InChIKey is HWCRTZTWXIXAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O3S/c1-17-14(20)18-10-3-5-11(6-4-10)19-23(21,22)13-7-2-9(16)8-12(13)15/h2-8,19H,1H3,(H2,17,18,20).
What are the key properties of 1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-methylurea?
1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-methylurea has a molecular weight of 357.79 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-methylurea is sourced from PubChem (CID 134040533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).