1-[4-(4-aminophenyl)sulfanylphenyl]-3-(2,3-dichlorophenyl)urea

C19H15Cl2N3OS — CID 57150049

IUPAC1-[4-(4-aminophenyl)sulfanylphenyl]-3-(2,3-dichlorophenyl)urea
SMILESNc1ccc(Sc2ccc(NC(=O)Nc3cccc(Cl)c3Cl)cc2)cc1
InChIInChI=1S/C19H15Cl2N3OS/c20-16-2-1-3-17(18(16)21)24-19(25)23-13-6-10-15(11-7-13)26-14-8-4-12(22)5-9-14/h1-11H,22H2,(H2,23,24,25)
InChIKeyNFGHLPTXMKOGKB-UHFFFAOYSA-N
MW404.32 g/mol
LogP6.37
Rot. Bonds4

About 1-[4-(4-aminophenyl)sulfanylphenyl]-3-(2,3-dichlorophenyl)urea

1-[4-(4-aminophenyl)sulfanylphenyl]-3-(2,3-dichlorophenyl)urea (PubChem CID 57150049) has the molecular formula C19H15Cl2N3OS and a molecular weight of 404.32 g/mol. Its IUPAC name is 1-[4-(4-aminophenyl)sulfanylphenyl]-3-(2,3-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[4-(4-aminophenyl)sulfanylphenyl]-3-(2,3-dichlorophenyl)urea
PubChem CID57150049
Molecular FormulaC19H15Cl2N3OS
Molecular Weight404.32 g/mol
Exact Mass403.03
IUPAC Name1-[4-(4-aminophenyl)sulfanylphenyl]-3-(2,3-dichlorophenyl)urea
SMILESNc1ccc(Sc2ccc(NC(=O)Nc3cccc(Cl)c3Cl)cc2)cc1
InChIInChI=1S/C19H15Cl2N3OS/c20-16-2-1-3-17(18(16)21)24-19(25)23-13-6-10-15(11-7-13)26-14-8-4-12(22)5-9-14/h1-11H,22H2,(H2,23,24,25)
InChIKeyNFGHLPTXMKOGKB-UHFFFAOYSA-N
XLogP6.37
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.32
LogP ≤ 56.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dichlorophenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712386
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
N-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]sulfonylacetamide
CID 4070537
4-[(2,3-dichlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180593
4-N-(2,3-dichlorophenyl)benzene-1,4-diamine
CID 4764118
1-(2,3-dichlorophenyl)-3-pyridin-3-ylurea
CID 51062925
1-(5-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43551327
1-(3,4-dichloro-2-hydroxyphenyl)-3-(2,3-dichlorophenyl)urea;urea
CID 159737263
1-(2-chlorophenyl)-3-[4-(difluoromethylsulfanyl)phenyl]urea
CID 4852232
1-(2,3-dichlorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991413
1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991483
1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43544026

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminophenyl)sulfanylphenyl]-3-(2,3-dichlorophenyl)urea?
The IUPAC name of 1-[4-(4-aminophenyl)sulfanylphenyl]-3-(2,3-dichlorophenyl)urea (CID 57150049) is 1-[4-(4-aminophenyl)sulfanylphenyl]-3-(2,3-dichlorophenyl)urea.
What is the SMILES notation for 1-[4-(4-aminophenyl)sulfanylphenyl]-3-(2,3-dichlorophenyl)urea?
The canonical SMILES for 1-[4-(4-aminophenyl)sulfanylphenyl]-3-(2,3-dichlorophenyl)urea is Nc1ccc(Sc2ccc(NC(=O)Nc3cccc(Cl)c3Cl)cc2)cc1.
What is the InChIKey of 1-[4-(4-aminophenyl)sulfanylphenyl]-3-(2,3-dichlorophenyl)urea?
The InChIKey is NFGHLPTXMKOGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3OS/c20-16-2-1-3-17(18(16)21)24-19(25)23-13-6-10-15(11-7-13)26-14-8-4-12(22)5-9-14/h1-11H,22H2,(H2,23,24,25).
What are the key properties of 1-[4-(4-aminophenyl)sulfanylphenyl]-3-(2,3-dichlorophenyl)urea?
1-[4-(4-aminophenyl)sulfanylphenyl]-3-(2,3-dichlorophenyl)urea has a molecular weight of 404.32 g/mol, XLogP of 6.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminophenyl)sulfanylphenyl]-3-(2,3-dichlorophenyl)urea is sourced from PubChem (CID 57150049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).