N-[1-(4-chlorophenyl)propyl]-4-methoxy-3-(methylsulfamoyl)benzamide

C18H21ClN2O4S — CID 51317743

IUPACN-[1-(4-chlorophenyl)propyl]-4-methoxy-3-(methylsulfamoyl)benzamide
SMILESCCC(NC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-4-15(12-5-8-14(19)9-6-12)21-18(22)13-7-10-16(25-3)17(11-13)26(23,24)20-2/h5-11,15,20H,4H2,1-3H3,(H,21,22)
InChIKeyBFOITSUFUYLSNM-UHFFFAOYSA-N
MW396.90 g/mol
LogP3.14
Rot. Bonds7

About N-[1-(4-chlorophenyl)propyl]-4-methoxy-3-(methylsulfamoyl)benzamide

N-[1-(4-chlorophenyl)propyl]-4-methoxy-3-(methylsulfamoyl)benzamide (PubChem CID 51317743) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]-4-methoxy-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]-4-methoxy-3-(methylsulfamoyl)benzamide
PubChem CID51317743
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC NameN-[1-(4-chlorophenyl)propyl]-4-methoxy-3-(methylsulfamoyl)benzamide
SMILESCCC(NC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-4-15(12-5-8-14(19)9-6-12)21-18(22)13-7-10-16(25-3)17(11-13)26(23,24)20-2/h5-11,15,20H,4H2,1-3H3,(H,21,22)
InChIKeyBFOITSUFUYLSNM-UHFFFAOYSA-N
XLogP3.14
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 28557669
4-methoxy-3-(methylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide
CID 40742236
5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 45373547
3-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
CID 100648795
4-chloro-N-[1-(4-chlorophenyl)propyl]-3-(dimethylsulfamoyl)benzamide
CID 24600801
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 60555111
N-[1-(2-chlorophenyl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 51163493
3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)propyl]benzamide
CID 27853735
3-fluoro-4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 51199371
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-(methylsulfamoyl)benzamide
CID 100624134
methyl (3R)-3-(3-bromophenyl)-3-[[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]propanoate
CID 52908538
CID 70601990
CID 70601990

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]-4-methoxy-3-(methylsulfamoyl)benzamide (CID 51317743) is N-[1-(4-chlorophenyl)propyl]-4-methoxy-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]-4-methoxy-3-(methylsulfamoyl)benzamide is CCC(NC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
The InChIKey is BFOITSUFUYLSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-4-15(12-5-8-14(19)9-6-12)21-18(22)13-7-10-16(25-3)17(11-13)26(23,24)20-2/h5-11,15,20H,4H2,1-3H3,(H,21,22).
What are the key properties of N-[1-(4-chlorophenyl)propyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
N-[1-(4-chlorophenyl)propyl]-4-methoxy-3-(methylsulfamoyl)benzamide has a molecular weight of 396.90 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propyl]-4-methoxy-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 51317743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).