1-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-3-phenylurea

C16H18ClN3O3S — CID 113069900

IUPAC1-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-3-phenylurea
SMILESCS(=O)(=O)N(CCNC(=O)Nc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3O3S/c1-24(22,23)20(15-9-5-6-13(17)12-15)11-10-18-16(21)19-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H2,18,19,21)
InChIKeyGXJVFJVKPPNQMN-UHFFFAOYSA-N
MW367.86 g/mol
LogP2.93
Rot. Bonds6

About 1-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-3-phenylurea

1-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-3-phenylurea (PubChem CID 113069900) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is 1-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-3-phenylurea
PubChem CID113069900
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC Name1-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-3-phenylurea
SMILESCS(=O)(=O)N(CCNC(=O)Nc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3O3S/c1-24(22,23)20(15-9-5-6-13(17)12-15)11-10-18-16(21)19-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H2,18,19,21)
InChIKeyGXJVFJVKPPNQMN-UHFFFAOYSA-N
XLogP2.93
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113068475
3-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide
CID 113143812
N-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-4-methylbenzamide
CID 113069873
1-[2-(2-methyl-N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113068572
N-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-3,4-difluorobenzamide
CID 113069894
1-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113069700
3-(3-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113143815
2-(3-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)acetamide
CID 1082246
1-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-phenylurea
CID 113067081
1-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113069597
1-[2-(N-methylsulfonyl-2-propan-2-yloxyanilino)ethyl]-3-phenylurea
CID 113070721
methyl 2-[methylsulfonyl-[2-(phenylcarbamoylamino)ethyl]amino]benzoate
CID 113071161

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-3-phenylurea?
The IUPAC name of 1-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-3-phenylurea (CID 113069900) is 1-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-3-phenylurea is CS(=O)(=O)N(CCNC(=O)Nc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-3-phenylurea?
The InChIKey is GXJVFJVKPPNQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-24(22,23)20(15-9-5-6-13(17)12-15)11-10-18-16(21)19-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H2,18,19,21).
What are the key properties of 1-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-3-phenylurea?
1-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-3-phenylurea has a molecular weight of 367.86 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-3-phenylurea is sourced from PubChem (CID 113069900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).