N-(4-chloro-2-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide

C19H23ClN4O3S — CID 78897256

IUPACN-(4-chloro-2-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN1CCN(c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C19H23ClN4O3S/c1-14-12-15(20)2-7-18(14)22-19(25)13-23-8-10-24(11-9-23)16-3-5-17(6-4-16)28(21,26)27/h2-7,12H,8-11,13H2,1H3,(H,22,25)(H2,21,26,27)
InChIKeyCMMRKDVQYASPAT-UHFFFAOYSA-N
MW422.94 g/mol
LogP2.06
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide

N-(4-chloro-2-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide (PubChem CID 78897256) has the molecular formula C19H23ClN4O3S and a molecular weight of 422.94 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide
PubChem CID78897256
Molecular FormulaC19H23ClN4O3S
Molecular Weight422.94 g/mol
Exact Mass422.12
IUPAC NameN-(4-chloro-2-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN1CCN(c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C19H23ClN4O3S/c1-14-12-15(20)2-7-18(14)22-19(25)13-23-8-10-24(11-9-23)16-3-5-17(6-4-16)28(21,26)27/h2-7,12H,8-11,13H2,1H3,(H,22,25)(H2,21,26,27)
InChIKeyCMMRKDVQYASPAT-UHFFFAOYSA-N
XLogP2.06
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.94
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8704214
N-(4-chloro-2-methylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8005862
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 22198476
N-(2-ethyl-6-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide
CID 78896380
N-(4-fluoro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 50875792
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetamide
CID 87019549
N-(4-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027177
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 22198769
1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119908238
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride
CID 119920513
N-(3-chlorophenyl)-3-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide
CID 60500788
N-(4-chloro-2-methylphenyl)-4-sulfamoylbenzamide
CID 26698295

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide (CID 78897256) is N-(4-chloro-2-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide is Cc1cc(Cl)ccc1NC(=O)CN1CCN(c2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide?
The InChIKey is CMMRKDVQYASPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3S/c1-14-12-15(20)2-7-18(14)22-19(25)13-23-8-10-24(11-9-23)16-3-5-17(6-4-16)28(21,26)27/h2-7,12H,8-11,13H2,1H3,(H,22,25)(H2,21,26,27).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide?
N-(4-chloro-2-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide has a molecular weight of 422.94 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 78897256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).