1-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)phenyl]urea

C14H13ClFN3O3S — CID 108875348

IUPAC1-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)phenyl]urea
SMILESCS(=O)(=O)Nc1ccc(NC(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C14H13ClFN3O3S/c1-23(21,22)19-10-4-2-9(3-5-10)17-14(20)18-11-6-7-13(16)12(15)8-11/h2-8,19H,1H3,(H2,17,18,20)
InChIKeyOHJMEYBQSQDPSC-UHFFFAOYSA-N
MW357.79 g/mol
LogP3.49
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)phenyl]urea

1-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)phenyl]urea (PubChem CID 108875348) has the molecular formula C14H13ClFN3O3S and a molecular weight of 357.79 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)phenyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)phenyl]urea
PubChem CID108875348
Molecular FormulaC14H13ClFN3O3S
Molecular Weight357.79 g/mol
Exact Mass357.04
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)phenyl]urea
SMILESCS(=O)(=O)Nc1ccc(NC(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C14H13ClFN3O3S/c1-23(21,22)19-10-4-2-9(3-5-10)17-14(20)18-11-6-7-13(16)12(15)8-11/h2-8,19H,1H3,(H2,17,18,20)
InChIKeyOHJMEYBQSQDPSC-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(3-chloro-4-fluorophenyl)-4-(methanesulfonamido)benzamide
CID 46778692
1-(3-chloro-4-fluorophenyl)-3-[4-(diethylamino)phenyl]urea
CID 108991877
1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623
1-(4-chloro-3-nitrophenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875215
1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 108893983
1-(3-bromo-4-methylphenyl)-3-(3-chloro-4-fluorophenyl)urea
CID 108991868
1-[3-(1-aminoethyl)phenyl]-3-(3-chloro-4-fluorophenyl)urea
CID 61340020
1-(3-hydroxyphenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875136
1-(4-aminophenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875138
N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide
CID 44998410
N-(3,4-difluorophenyl)-4-(methanesulfonamido)benzamide
CID 1265569
1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyphenyl)urea
CID 108871538

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)phenyl]urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)phenyl]urea (CID 108875348) is 1-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)phenyl]urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)phenyl]urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)phenyl]urea is CS(=O)(=O)Nc1ccc(NC(=O)Nc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)phenyl]urea?
The InChIKey is OHJMEYBQSQDPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O3S/c1-23(21,22)19-10-4-2-9(3-5-10)17-14(20)18-11-6-7-13(16)12(15)8-11/h2-8,19H,1H3,(H2,17,18,20).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)phenyl]urea?
1-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)phenyl]urea has a molecular weight of 357.79 g/mol, XLogP of 3.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)phenyl]urea is sourced from PubChem (CID 108875348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).