N-(2-chloro-4-sulfamoylphenyl)-2-[[4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

C23H20ClN5O3S2 — CID 16728210

IUPACN-(2-chloro-4-sulfamoylphenyl)-2-[[4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CSc2nncn2-c2ccc(C3CC3)c3ccccc23)c(Cl)c1
InChIInChI=1S/C23H20ClN5O3S2/c24-19-11-15(34(25,31)32)7-9-20(19)27-22(30)12-33-23-28-26-13-29(23)21-10-8-16(14-5-6-14)17-3-1-2-4-18(17)21/h1-4,7-11,13-14H,5-6,12H2,(H,27,30)(H2,25,31,32)
InChIKeyQWYJMADHXMDPBT-UHFFFAOYSA-N
MW514.03 g/mol
LogP4.33
Rot. Bonds7

About N-(2-chloro-4-sulfamoylphenyl)-2-[[4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-(2-chloro-4-sulfamoylphenyl)-2-[[4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 16728210) has the molecular formula C23H20ClN5O3S2 and a molecular weight of 514.03 g/mol. Its IUPAC name is N-(2-chloro-4-sulfamoylphenyl)-2-[[4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-sulfamoylphenyl)-2-[[4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID16728210
Molecular FormulaC23H20ClN5O3S2
Molecular Weight514.03 g/mol
Exact Mass513.07
IUPAC NameN-(2-chloro-4-sulfamoylphenyl)-2-[[4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CSc2nncn2-c2ccc(C3CC3)c3ccccc23)c(Cl)c1
InChIInChI=1S/C23H20ClN5O3S2/c24-19-11-15(34(25,31)32)7-9-20(19)27-22(30)12-33-23-28-26-13-29(23)21-10-8-16(14-5-6-14)17-3-1-2-4-18(17)21/h1-4,7-11,13-14H,5-6,12H2,(H,27,30)(H2,25,31,32)
InChIKeyQWYJMADHXMDPBT-UHFFFAOYSA-N
XLogP4.33
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.03
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2-chloro-4-sulfamoylphenyl)-2-[[4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[[4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate;methyl 2-[[4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 161149873
N-(2-chlorophenyl)-2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 40568574
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3901581
N-(2-chloro-4-methylphenyl)-2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 40568602
2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chlorophenyl)acetamide
CID 24662734
N-(2,6-dichlorophenyl)-2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 40583887
N-(4-acetamido-3-chlorophenyl)-2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 31510893
2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)acetamide
CID 3626432
N-(2-chloro-4-sulfamoylphenyl)-2-[[5-methyl-4-(2,4,7-trimethylquinolin-8-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 71592063
4-[[2-[[5-bromo-4-(4-cyclopropyl-7-ethoxynaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-chlorobenzoic acid
CID 71727444
2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-tert-butylphenyl)sulfonylacetamide
CID 162654187
N-(4-iodo-2-methylphenyl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 112778108

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-sulfamoylphenyl)-2-[[4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-chloro-4-sulfamoylphenyl)-2-[[4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 16728210) is N-(2-chloro-4-sulfamoylphenyl)-2-[[4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-chloro-4-sulfamoylphenyl)-2-[[4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-chloro-4-sulfamoylphenyl)-2-[[4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is NS(=O)(=O)c1ccc(NC(=O)CSc2nncn2-c2ccc(C3CC3)c3ccccc23)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-sulfamoylphenyl)-2-[[4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is QWYJMADHXMDPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O3S2/c24-19-11-15(34(25,31)32)7-9-20(19)27-22(30)12-33-23-28-26-13-29(23)21-10-8-16(14-5-6-14)17-3-1-2-4-18(17)21/h1-4,7-11,13-14H,5-6,12H2,(H,27,30)(H2,25,31,32).
What are the key properties of N-(2-chloro-4-sulfamoylphenyl)-2-[[4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-(2-chloro-4-sulfamoylphenyl)-2-[[4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 514.03 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-sulfamoylphenyl)-2-[[4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 16728210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).