1-(3-chlorophenyl)-3-[3-[methyl(methylsulfonyl)amino]phenyl]urea

C15H16ClN3O3S — CID 2224615

IUPAC1-(3-chlorophenyl)-3-[3-[methyl(methylsulfonyl)amino]phenyl]urea
SMILESCN(c1cccc(NC(=O)Nc2cccc(Cl)c2)c1)S(C)(=O)=O
InChIInChI=1S/C15H16ClN3O3S/c1-19(23(2,21)22)14-8-4-7-13(10-14)18-15(20)17-12-6-3-5-11(16)9-12/h3-10H,1-2H3,(H2,17,18,20)
InChIKeyUPPOPLUMQLTCIE-UHFFFAOYSA-N
MW353.83 g/mol
LogP3.38
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[3-[methyl(methylsulfonyl)amino]phenyl]urea

1-(3-chlorophenyl)-3-[3-[methyl(methylsulfonyl)amino]phenyl]urea (PubChem CID 2224615) has the molecular formula C15H16ClN3O3S and a molecular weight of 353.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[3-[methyl(methylsulfonyl)amino]phenyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[3-[methyl(methylsulfonyl)amino]phenyl]urea
PubChem CID2224615
Molecular FormulaC15H16ClN3O3S
Molecular Weight353.83 g/mol
Exact Mass353.06
IUPAC Name1-(3-chlorophenyl)-3-[3-[methyl(methylsulfonyl)amino]phenyl]urea
SMILESCN(c1cccc(NC(=O)Nc2cccc(Cl)c2)c1)S(C)(=O)=O
InChIInChI=1S/C15H16ClN3O3S/c1-19(23(2,21)22)14-8-4-7-13(10-14)18-15(20)17-12-6-3-5-11(16)9-12/h3-10H,1-2H3,(H2,17,18,20)
InChIKeyUPPOPLUMQLTCIE-UHFFFAOYSA-N
XLogP3.38
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 56920914
4-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 1006597
N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108516523
2-chloro-4-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 100520518
2-(3-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)acetamide
CID 1082246
N-[3-[methyl(methylsulfonyl)amino]phenyl]cyclopentanecarboxamide
CID 56921673
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 1317361
4-[(3-chlorophenyl)carbamoylamino]benzenesulfonic acid
CID 108869978
1-[(3-chlorophenyl)methylsulfonyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-4-carboxamide
CID 46762919
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 126127010
1-[3-[bis[(3,5-dichlorophenyl)sulfonyl]amino]phenyl]-3-(3,5-dichlorophenyl)urea
CID 10122938
1-[(3-chlorophenyl)methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide
CID 43923883

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[3-[methyl(methylsulfonyl)amino]phenyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[3-[methyl(methylsulfonyl)amino]phenyl]urea (CID 2224615) is 1-(3-chlorophenyl)-3-[3-[methyl(methylsulfonyl)amino]phenyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[3-[methyl(methylsulfonyl)amino]phenyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[3-[methyl(methylsulfonyl)amino]phenyl]urea is CN(c1cccc(NC(=O)Nc2cccc(Cl)c2)c1)S(C)(=O)=O.
What is the InChIKey of 1-(3-chlorophenyl)-3-[3-[methyl(methylsulfonyl)amino]phenyl]urea?
The InChIKey is UPPOPLUMQLTCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3S/c1-19(23(2,21)22)14-8-4-7-13(10-14)18-15(20)17-12-6-3-5-11(16)9-12/h3-10H,1-2H3,(H2,17,18,20).
What are the key properties of 1-(3-chlorophenyl)-3-[3-[methyl(methylsulfonyl)amino]phenyl]urea?
1-(3-chlorophenyl)-3-[3-[methyl(methylsulfonyl)amino]phenyl]urea has a molecular weight of 353.83 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[3-[methyl(methylsulfonyl)amino]phenyl]urea is sourced from PubChem (CID 2224615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).