1-benzyl-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]urea

C20H18ClN3O3S — CID 135223291

IUPAC1-benzyl-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]urea
SMILESO=C(NCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C20H18ClN3O3S/c21-18-8-4-5-9-19(18)24-28(26,27)17-12-10-16(11-13-17)23-20(25)22-14-15-6-2-1-3-7-15/h1-13,24H,14H2,(H2,22,23,25)
InChIKeyVFZFWQGGCOOWLN-UHFFFAOYSA-N
MW415.90 g/mol
LogP4.46
Rot. Bonds6

About 1-benzyl-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]urea

1-benzyl-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]urea (PubChem CID 135223291) has the molecular formula C20H18ClN3O3S and a molecular weight of 415.90 g/mol. Its IUPAC name is 1-benzyl-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]urea
PubChem CID135223291
Molecular FormulaC20H18ClN3O3S
Molecular Weight415.90 g/mol
Exact Mass415.08
IUPAC Name1-benzyl-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]urea
SMILESO=C(NCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C20H18ClN3O3S/c21-18-8-4-5-9-19(18)24-28(26,27)17-12-10-16(11-13-17)23-20(25)22-14-15-6-2-1-3-7-15/h1-13,24H,14H2,(H2,22,23,25)
InChIKeyVFZFWQGGCOOWLN-UHFFFAOYSA-N
XLogP4.46
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135223030
1-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-phenylethyl)thiourea
CID 25041224
1-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610132
1-benzyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea
CID 119045094
1-benzyl-3-[4-(4-propan-2-ylphenyl)sulfonylphenyl]urea
CID 155612864
4-[(2-chlorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 9046795
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]pyrrolidine-1-carboxamide
CID 7376470
1-benzyl-3-[4-(methanesulfonamido)phenyl]urea
CID 32521055
N-[(3-chlorophenyl)methyl]-4-[(2-chlorophenyl)sulfamoyl]benzamide
CID 46529076
1-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 16615674
N-[4-(benzylsulfamoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 66863129
N,N-dimethyl-2-[[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylamino]benzamide
CID 66611046

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]urea?
The IUPAC name of 1-benzyl-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]urea (CID 135223291) is 1-benzyl-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]urea.
What is the SMILES notation for 1-benzyl-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]urea?
The canonical SMILES for 1-benzyl-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]urea is O=C(NCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of 1-benzyl-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]urea?
The InChIKey is VFZFWQGGCOOWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S/c21-18-8-4-5-9-19(18)24-28(26,27)17-12-10-16(11-13-17)23-20(25)22-14-15-6-2-1-3-7-15/h1-13,24H,14H2,(H2,22,23,25).
What are the key properties of 1-benzyl-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]urea?
1-benzyl-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]urea has a molecular weight of 415.90 g/mol, XLogP of 4.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]urea is sourced from PubChem (CID 135223291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).