1-(2-aminophenyl)sulfonyl-3-(3-chlorophenyl)urea

C13H12ClN3O3S — CID 150889345

IUPAC1-(2-aminophenyl)sulfonyl-3-(3-chlorophenyl)urea
SMILESNc1ccccc1S(=O)(=O)NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H12ClN3O3S/c14-9-4-3-5-10(8-9)16-13(18)17-21(19,20)12-7-2-1-6-11(12)15/h1-8H,15H2,(H2,16,17,18)
InChIKeyKXRRWBWBICAZSE-UHFFFAOYSA-N
MW325.78 g/mol
LogP2.43
Rot. Bonds3

About 1-(2-aminophenyl)sulfonyl-3-(3-chlorophenyl)urea

1-(2-aminophenyl)sulfonyl-3-(3-chlorophenyl)urea (PubChem CID 150889345) has the molecular formula C13H12ClN3O3S and a molecular weight of 325.78 g/mol. Its IUPAC name is 1-(2-aminophenyl)sulfonyl-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-(2-aminophenyl)sulfonyl-3-(3-chlorophenyl)urea
PubChem CID150889345
Molecular FormulaC13H12ClN3O3S
Molecular Weight325.78 g/mol
Exact Mass325.03
IUPAC Name1-(2-aminophenyl)sulfonyl-3-(3-chlorophenyl)urea
SMILESNc1ccccc1S(=O)(=O)NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H12ClN3O3S/c14-9-4-3-5-10(8-9)16-13(18)17-21(19,20)12-7-2-1-6-11(12)15/h1-8H,15H2,(H2,16,17,18)
InChIKeyKXRRWBWBICAZSE-UHFFFAOYSA-N
XLogP2.43
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.78
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-aminophenyl)-methylidene-oxo-λ6-sulfanyl]-3-(3-chlorophenyl)urea
CID 91149962
4-[(3-chlorophenyl)carbamoylamino]benzenesulfonic acid
CID 108869978
1-[4-(tert-butylsulfamoyl)phenyl]-3-(3-chlorophenyl)urea
CID 1226693
3-amino-4-[(3-chlorophenyl)sulfamoyl]benzamide
CID 81452826
1-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]urea
CID 115865549
1-(3-chlorophenyl)-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfonyl]urea
CID 135426663
(3-chlorophenyl)urea;1,2-xylene
CID 70502289
1-(5-chloro-2-ethoxyphenyl)sulfonyl-3-phenylurea
CID 118729548
butyl 3-[(2-chlorophenyl)sulfonylcarbamoylamino]benzoate
CID 22564863
1-[2-(aminomethyl)phenyl]-3-(3-chlorophenyl)urea
CID 64896037
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
1,3-bis[(3-chlorophenyl)sulfonyl]urea
CID 155928665

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)sulfonyl-3-(3-chlorophenyl)urea?
The IUPAC name of 1-(2-aminophenyl)sulfonyl-3-(3-chlorophenyl)urea (CID 150889345) is 1-(2-aminophenyl)sulfonyl-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-(2-aminophenyl)sulfonyl-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-(2-aminophenyl)sulfonyl-3-(3-chlorophenyl)urea is Nc1ccccc1S(=O)(=O)NC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(2-aminophenyl)sulfonyl-3-(3-chlorophenyl)urea?
The InChIKey is KXRRWBWBICAZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3S/c14-9-4-3-5-10(8-9)16-13(18)17-21(19,20)12-7-2-1-6-11(12)15/h1-8H,15H2,(H2,16,17,18).
What are the key properties of 1-(2-aminophenyl)sulfonyl-3-(3-chlorophenyl)urea?
1-(2-aminophenyl)sulfonyl-3-(3-chlorophenyl)urea has a molecular weight of 325.78 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)sulfonyl-3-(3-chlorophenyl)urea is sourced from PubChem (CID 150889345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).