N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-pyridin-2-ylpropanamide

C21H20ClN3O3S — CID 60599784

IUPACN-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-pyridin-2-ylpropanamide
SMILESCc1ccc(NC(=O)CCc2ccccn2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H20ClN3O3S/c1-15-5-8-19(24-21(26)12-11-17-4-2-3-13-23-17)14-20(15)29(27,28)25-18-9-6-16(22)7-10-18/h2-10,13-14,25H,11-12H2,1H3,(H,24,26)
InChIKeyCNKKNNLRGQPPDM-UHFFFAOYSA-N
MW429.93 g/mol
LogP4.42
Rot. Bonds7

About N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-pyridin-2-ylpropanamide

N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-pyridin-2-ylpropanamide (PubChem CID 60599784) has the molecular formula C21H20ClN3O3S and a molecular weight of 429.93 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-pyridin-2-ylpropanamide
PubChem CID60599784
Molecular FormulaC21H20ClN3O3S
Molecular Weight429.93 g/mol
Exact Mass429.09
IUPAC NameN-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-pyridin-2-ylpropanamide
SMILESCc1ccc(NC(=O)CCc2ccccn2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H20ClN3O3S/c1-15-5-8-19(24-21(26)12-11-17-4-2-3-13-23-17)14-20(15)29(27,28)25-18-9-6-16(22)7-10-18/h2-10,13-14,25H,11-12H2,1H3,(H,24,26)
InChIKeyCNKKNNLRGQPPDM-UHFFFAOYSA-N
XLogP4.42
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-pyridin-2-ylpropanamide
CID 60599848
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-oxo-4-phenylbutanamide
CID 42988703
N-(3-bromo-4-methylphenyl)-3-pyridin-2-ylpropanamide
CID 110389230
1,3-bis[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]urea
CID 90145577
N-(3-amino-4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 81466595
N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylpropanamide
CID 47468190
N-[4-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide
CID 39761071
2-(3,4-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide
CID 162727449
N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]furan-2-carboxamide
CID 30474795
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,6-difluorobenzamide
CID 36772113
N-(4-hydroxyphenyl)-3-pyridin-2-ylpropanamide
CID 80743821
2-[5-(aminomethyl)-4-chloro-6-oxopyridazin-1-yl]-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide
CID 162727394

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-pyridin-2-ylpropanamide?
The IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-pyridin-2-ylpropanamide (CID 60599784) is N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-pyridin-2-ylpropanamide is Cc1ccc(NC(=O)CCc2ccccn2)cc1S(=O)(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-pyridin-2-ylpropanamide?
The InChIKey is CNKKNNLRGQPPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3S/c1-15-5-8-19(24-21(26)12-11-17-4-2-3-13-23-17)14-20(15)29(27,28)25-18-9-6-16(22)7-10-18/h2-10,13-14,25H,11-12H2,1H3,(H,24,26).
What are the key properties of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-pyridin-2-ylpropanamide?
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-pyridin-2-ylpropanamide has a molecular weight of 429.93 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 60599784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).