1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea

C19H31ClN4O3S — CID 56519934

IUPAC1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)NCCC2CCN(C)CC2)c1
InChIInChI=1S/C19H31ClN4O3S/c1-4-24(5-2)28(26,27)16-6-7-17(20)18(14-16)22-19(25)21-11-8-15-9-12-23(3)13-10-15/h6-7,14-15H,4-5,8-13H2,1-3H3,(H2,21,22,25)
InChIKeySNWIUQFXHNJKHU-UHFFFAOYSA-N
MW431.00 g/mol
LogP3.22
Rot. Bonds8

About 1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea

1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea (PubChem CID 56519934) has the molecular formula C19H31ClN4O3S and a molecular weight of 431.00 g/mol. Its IUPAC name is 1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
PubChem CID56519934
Molecular FormulaC19H31ClN4O3S
Molecular Weight431.00 g/mol
Exact Mass430.18
IUPAC Name1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)NCCC2CCN(C)CC2)c1
InChIInChI=1S/C19H31ClN4O3S/c1-4-24(5-2)28(26,27)16-6-7-17(20)18(14-16)22-19(25)21-11-8-15-9-12-23(3)13-10-15/h6-7,14-15H,4-5,8-13H2,1-3H3,(H2,21,22,25)
InChIKeySNWIUQFXHNJKHU-UHFFFAOYSA-N
XLogP3.22
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.00
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-(3-pyrazol-1-ylpropyl)urea
CID 55696278
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55752758
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-[4-(dimethylamino)piperidin-1-yl]propanamide
CID 112840558
(2S)-2-(azocan-1-yl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]propanamide
CID 8583559
1-[2-(2-chlorophenoxy)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 56519173
1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(N-methylanilino)propyl]urea
CID 55701839
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 56518150
(2S)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide
CID 25337361
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 55343278
N-[2-chloro-5-(diethylsulfamoyl)phenyl]pyridine-4-carboxamide
CID 2963512
2-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-sulfanylbenzamide
CID 107036335
1-acetyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]piperidine-4-carboxamide
CID 17447576

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea?
The IUPAC name of 1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea (CID 56519934) is 1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea.
What is the SMILES notation for 1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea?
The canonical SMILES for 1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea is CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)NCCC2CCN(C)CC2)c1.
What is the InChIKey of 1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea?
The InChIKey is SNWIUQFXHNJKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31ClN4O3S/c1-4-24(5-2)28(26,27)16-6-7-17(20)18(14-16)22-19(25)21-11-8-15-9-12-23(3)13-10-15/h6-7,14-15H,4-5,8-13H2,1-3H3,(H2,21,22,25).
What are the key properties of 1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea?
1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea has a molecular weight of 431.00 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea is sourced from PubChem (CID 56519934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).