3-(4-chlorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)propanamide

C16H17ClN2O4S — CID 51281176

IUPAC3-(4-chlorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)propanamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O4S/c1-23-15-8-7-13(24(18,21)22)10-14(15)19-16(20)9-4-11-2-5-12(17)6-3-11/h2-3,5-8,10H,4,9H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyLCAYADNSVWRIEG-UHFFFAOYSA-N
MW368.84 g/mol
LogP2.57
Rot. Bonds6

About 3-(4-chlorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)propanamide

3-(4-chlorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)propanamide (PubChem CID 51281176) has the molecular formula C16H17ClN2O4S and a molecular weight of 368.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)propanamide
PubChem CID51281176
Molecular FormulaC16H17ClN2O4S
Molecular Weight368.84 g/mol
Exact Mass368.06
IUPAC Name3-(4-chlorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)propanamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O4S/c1-23-15-8-7-13(24(18,21)22)10-14(15)19-16(20)9-4-11-2-5-12(17)6-3-11/h2-3,5-8,10H,4,9H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyLCAYADNSVWRIEG-UHFFFAOYSA-N
XLogP2.57
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 39755109
3-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 33161073
3-(4-aminophenyl)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 28713135
3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 19220922
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 19220940
N-(2-methoxy-5-sulfamoylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 55471999
2-(2-aminoethoxy)-N-(2-methoxy-5-sulfamoylphenyl)acetamide
CID 79473829
N-(5-chloro-2-methoxyphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide
CID 109028066
N-(2-methoxy-5-sulfamoylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 51281096
N-(2-methoxy-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 60842548
N-(5-chloro-2-methoxyphenyl)-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100658824
3-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 19237299

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)propanamide (CID 51281176) is 3-(4-chlorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)propanamide is COc1ccc(S(N)(=O)=O)cc1NC(=O)CCc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)propanamide?
The InChIKey is LCAYADNSVWRIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4S/c1-23-15-8-7-13(24(18,21)22)10-14(15)19-16(20)9-4-11-2-5-12(17)6-3-11/h2-3,5-8,10H,4,9H2,1H3,(H,19,20)(H2,18,21,22).
What are the key properties of 3-(4-chlorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)propanamide?
3-(4-chlorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)propanamide has a molecular weight of 368.84 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)propanamide is sourced from PubChem (CID 51281176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).