1-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-3-phenylurea

C21H21N3O3S — CID 16615685

IUPAC1-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-3-phenylurea
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccccc2NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C21H21N3O3S/c1-15-12-13-16(2)20(14-15)28(26,27)24-19-11-7-6-10-18(19)23-21(25)22-17-8-4-3-5-9-17/h3-14,24H,1-2H3,(H2,22,23,25)
InChIKeyLWWZCZWTLWAVOW-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.75
Rot. Bonds5

About 1-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-3-phenylurea

1-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-3-phenylurea (PubChem CID 16615685) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-3-phenylurea
PubChem CID16615685
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name1-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-3-phenylurea
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccccc2NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C21H21N3O3S/c1-15-12-13-16(2)20(14-15)28(26,27)24-19-11-7-6-10-18(19)23-21(25)22-17-8-4-3-5-9-17/h3-14,24H,1-2H3,(H2,22,23,25)
InChIKeyLWWZCZWTLWAVOW-UHFFFAOYSA-N
XLogP4.75
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea
CID 170548873
N-[2-(chloromethyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 65031301
2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774165
N-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 113093819
1-[4-[(2-bromo-4-methylphenyl)sulfonylamino]phenyl]-3-phenylurea
CID 39829886
N-(3,5-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 2333532
1,3-bis[2-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]urea
CID 170548860
N-(3-benzamidophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 55868933
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
1-cyclopropyl-3-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea
CID 46534979
1-(2-chlorophenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]urea
CID 24819123
2,5-dimethyl-N-(4-phenylphenyl)benzenesulfonamide
CID 925055

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-3-phenylurea?
The IUPAC name of 1-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-3-phenylurea (CID 16615685) is 1-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-3-phenylurea?
The canonical SMILES for 1-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-3-phenylurea is Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2NC(=O)Nc2ccccc2)c1.
What is the InChIKey of 1-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-3-phenylurea?
The InChIKey is LWWZCZWTLWAVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-15-12-13-16(2)20(14-15)28(26,27)24-19-11-7-6-10-18(19)23-21(25)22-17-8-4-3-5-9-17/h3-14,24H,1-2H3,(H2,22,23,25).
What are the key properties of 1-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-3-phenylurea?
1-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-3-phenylurea has a molecular weight of 395.48 g/mol, XLogP of 4.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-3-phenylurea is sourced from PubChem (CID 16615685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).