1-benzyl-3-[4-(methanesulfonamido)phenyl]urea

C15H17N3O3S — CID 32521055

IUPAC1-benzyl-3-[4-(methanesulfonamido)phenyl]urea
SMILESCS(=O)(=O)Nc1ccc(NC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C15H17N3O3S/c1-22(20,21)18-14-9-7-13(8-10-14)17-15(19)16-11-12-5-3-2-4-6-12/h2-10,18H,11H2,1H3,(H2,16,17,19)
InChIKeyWALUGACQXAIPHC-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.38
Rot. Bonds5

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

1-benzyl-3-[4-(methanesulfonamido)phenyl]urea (PubChem CID 32521055) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 1-benzyl-3-[4-(methanesulfonamido)phenyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[4-(methanesulfonamido)phenyl]urea
PubChem CID32521055
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name1-benzyl-3-[4-(methanesulfonamido)phenyl]urea
SMILESCS(=O)(=O)Nc1ccc(NC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C15H17N3O3S/c1-22(20,21)18-14-9-7-13(8-10-14)17-15(19)16-11-12-5-3-2-4-6-12/h2-10,18H,11H2,1H3,(H2,16,17,19)
InChIKeyWALUGACQXAIPHC-UHFFFAOYSA-N
XLogP2.38
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108875243
1-[4-(methanesulfonamido)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 108875244
1-(4-anilinophenyl)-3-benzylurea
CID 24664594
methyl 4-[[3-(methanesulfonamido)phenyl]methylcarbamoylamino]benzoate
CID 47039865
1-benzyl-3-[4-(4-propan-2-ylphenyl)sulfonylphenyl]urea
CID 155612864
1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 38205496
N-[4-(benzylcarbamoylamino)phenyl]-3-methylbutanamide
CID 32537851
methyl 2-[[4-(methanesulfonamido)phenyl]carbamoylamino]acetate
CID 108875415
1-benzyl-3-(4-methylidenearsanylphenyl)urea
CID 158613945
1-(3-hydroxypropyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875286
1-[2-(3-chlorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]urea
CID 108875433
1-benzyl-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]urea
CID 135223291

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[4-(methanesulfonamido)phenyl]urea?
The IUPAC name of 1-benzyl-3-[4-(methanesulfonamido)phenyl]urea (CID 32521055) is 1-benzyl-3-[4-(methanesulfonamido)phenyl]urea.
What is the SMILES notation for 1-benzyl-3-[4-(methanesulfonamido)phenyl]urea?
The canonical SMILES for 1-benzyl-3-[4-(methanesulfonamido)phenyl]urea is CS(=O)(=O)Nc1ccc(NC(=O)NCc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-3-[4-(methanesulfonamido)phenyl]urea?
The InChIKey is WALUGACQXAIPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-22(20,21)18-14-9-7-13(8-10-14)17-15(19)16-11-12-5-3-2-4-6-12/h2-10,18H,11H2,1H3,(H2,16,17,19).
What are the key properties of 1-benzyl-3-[4-(methanesulfonamido)phenyl]urea?
1-benzyl-3-[4-(methanesulfonamido)phenyl]urea has a molecular weight of 319.39 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[4-(methanesulfonamido)phenyl]urea is sourced from PubChem (CID 32521055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).