1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-[(2,3-dichlorophenyl)methyl]urea

C24H26Cl2N4O3S — CID 130447348

IUPAC1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-[(2,3-dichlorophenyl)methyl]urea
SMILESCC(C)(N)Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)NCc3cccc(Cl)c3Cl)cc2)cc1
InChIInChI=1S/C24H26Cl2N4O3S/c1-24(2,27)14-16-6-8-19(9-7-16)30-34(32,33)20-12-10-18(11-13-20)29-23(31)28-15-17-4-3-5-21(25)22(17)26/h3-13,30H,14-15,27H2,1-2H3,(H2,28,29,31)
InChIKeyITNDFRBLTUFBKI-UHFFFAOYSA-N
MW521.47 g/mol
LogP5.40
Rot. Bonds8

About 1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-[(2,3-dichlorophenyl)methyl]urea

1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-[(2,3-dichlorophenyl)methyl]urea (PubChem CID 130447348) has the molecular formula C24H26Cl2N4O3S and a molecular weight of 521.47 g/mol. Its IUPAC name is 1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-[(2,3-dichlorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-[(2,3-dichlorophenyl)methyl]urea
PubChem CID130447348
Molecular FormulaC24H26Cl2N4O3S
Molecular Weight521.47 g/mol
Exact Mass520.11
IUPAC Name1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-[(2,3-dichlorophenyl)methyl]urea
SMILESCC(C)(N)Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)NCc3cccc(Cl)c3Cl)cc2)cc1
InChIInChI=1S/C24H26Cl2N4O3S/c1-24(2,27)14-16-6-8-19(9-7-16)30-34(32,33)20-12-10-18(11-13-20)29-23(31)28-15-17-4-3-5-21(25)22(17)26/h3-13,30H,14-15,27H2,1-2H3,(H2,28,29,31)
InChIKeyITNDFRBLTUFBKI-UHFFFAOYSA-N
XLogP5.40
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.47
LogP ≤ 55.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-[(2,3-dichlorophenyl)methyl]urea with MolForge

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Related Compounds

1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-(4-tert-butylphenyl)urea
CID 46882305
1-[2-(2,3-dichlorophenyl)ethyl]-3-[4-[[4-(2-hydroxyethyl)phenyl]sulfamoyl]phenyl]urea
CID 130453827
1-[(2-chlorophenyl)methyl]-3-(4-ethylsulfonylphenyl)urea
CID 47033294
1-benzyl-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]urea
CID 135223291
1-[(2,3-dichlorophenyl)methyl]-3-[4-(2,3-dihydro-1H-isoindol-5-ylmethylsulfonyl)phenyl]urea;ethane
CID 145372952
N-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]sulfonylacetamide
CID 4070537
2-(2-chlorophenyl)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 18159807
1-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135223030
1-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610132
1-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222969
1-[4-[[4-(aminomethyl)phenyl]sulfamoyl]phenyl]-3-[(1S)-1-(2-chloro-3-methylphenyl)ethyl]urea
CID 130473632
2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetate
CID 7042035

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-[(2,3-dichlorophenyl)methyl]urea?
The IUPAC name of 1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-[(2,3-dichlorophenyl)methyl]urea (CID 130447348) is 1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-[(2,3-dichlorophenyl)methyl]urea.
What is the SMILES notation for 1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-[(2,3-dichlorophenyl)methyl]urea?
The canonical SMILES for 1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-[(2,3-dichlorophenyl)methyl]urea is CC(C)(N)Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)NCc3cccc(Cl)c3Cl)cc2)cc1.
What is the InChIKey of 1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-[(2,3-dichlorophenyl)methyl]urea?
The InChIKey is ITNDFRBLTUFBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N4O3S/c1-24(2,27)14-16-6-8-19(9-7-16)30-34(32,33)20-12-10-18(11-13-20)29-23(31)28-15-17-4-3-5-21(25)22(17)26/h3-13,30H,14-15,27H2,1-2H3,(H2,28,29,31).
What are the key properties of 1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-[(2,3-dichlorophenyl)methyl]urea?
1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-[(2,3-dichlorophenyl)methyl]urea has a molecular weight of 521.47 g/mol, XLogP of 5.40, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-[(2,3-dichlorophenyl)methyl]urea is sourced from PubChem (CID 130447348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).