1-(benzenesulfonyl)-3-(3,4-dichlorophenyl)urea

C13H10Cl2N2O3S — CID 10246947

IUPAC1-(benzenesulfonyl)-3-(3,4-dichlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H10Cl2N2O3S/c14-11-7-6-9(8-12(11)15)16-13(18)17-21(19,20)10-4-2-1-3-5-10/h1-8H,(H2,16,17,18)
InChIKeyCBIVZKJAOSJEHN-UHFFFAOYSA-N
MW345.21 g/mol
LogP3.50
Rot. Bonds3

About 1-(benzenesulfonyl)-3-(3,4-dichlorophenyl)urea

1-(benzenesulfonyl)-3-(3,4-dichlorophenyl)urea (PubChem CID 10246947) has the molecular formula C13H10Cl2N2O3S and a molecular weight of 345.21 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-(3,4-dichlorophenyl)urea
PubChem CID10246947
Molecular FormulaC13H10Cl2N2O3S
Molecular Weight345.21 g/mol
Exact Mass343.98
IUPAC Name1-(benzenesulfonyl)-3-(3,4-dichlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H10Cl2N2O3S/c14-11-7-6-9(8-12(11)15)16-13(18)17-21(19,20)10-4-2-1-3-5-10/h1-8H,(H2,16,17,18)
InChIKeyCBIVZKJAOSJEHN-UHFFFAOYSA-N
XLogP3.50
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(3,4-Dichlorophenyl)-3-phenylurea
CID 250642
AI-204/31750036
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1-(3,4-Dichloro-phenyl)-3-(3,5-dichloro-phenyl)-urea
CID 989142
1-(3-Chlorophenyl)-3-(3,4-dichlorophenyl)urea
CID 352823
4-amino-N-(3,4-dichlorophenyl)benzene-1-sulfonamide
CID 593571
Glyparamide
CID 246940
N-(3,4-dichlorophenyl)-N'-{4-[(trifluoromethyl)thio]phenyl}urea
CID 2054263
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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-(benzenesulfonyl)-3-(3,4-dichlorophenyl)urea (CID 10246947) is 1-(benzenesulfonyl)-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-(benzenesulfonyl)-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-(benzenesulfonyl)-3-(3,4-dichlorophenyl)urea is O=C(Nc1ccc(Cl)c(Cl)c1)NS(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-3-(3,4-dichlorophenyl)urea?
The InChIKey is CBIVZKJAOSJEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O3S/c14-11-7-6-9(8-12(11)15)16-13(18)17-21(19,20)10-4-2-1-3-5-10/h1-8H,(H2,16,17,18).
What are the key properties of 1-(benzenesulfonyl)-3-(3,4-dichlorophenyl)urea?
1-(benzenesulfonyl)-3-(3,4-dichlorophenyl)urea has a molecular weight of 345.21 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 10246947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).