N-(3-chloro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide

C17H19ClN2O4S — CID 17485467

IUPACN-(3-chloro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C17H19ClN2O4S/c1-12-3-6-14(11-16(12)18)20-17(21)13-4-7-15(8-5-13)25(22,23)19-9-10-24-2/h3-8,11,19H,9-10H2,1-2H3,(H,20,21)
InChIKeyKDOVGCVNGWQWSC-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.83
Rot. Bonds7

About N-(3-chloro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide

N-(3-chloro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 17485467) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
PubChem CID17485467
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC NameN-(3-chloro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C17H19ClN2O4S/c1-12-3-6-14(11-16(12)18)20-17(21)13-4-7-15(8-5-13)25(22,23)19-9-10-24-2/h3-8,11,19H,9-10H2,1-2H3,(H,20,21)
InChIKeyKDOVGCVNGWQWSC-UHFFFAOYSA-N
XLogP2.83
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methylphenyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 46674398
N-(3-fluoro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 17455377
N-(3-chloro-4-methylphenyl)-4-(methoxysulfamoyl)benzamide
CID 55704375
4-(2-methoxyethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 35437620
4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 24584227
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 24625442
4-(2-methoxyethylsulfamoyl)-N-(4-propan-2-yloxyphenyl)benzamide
CID 109059796
N-(4-ethoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 34677141
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 46467570
N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 59826546
N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-iodobenzamide
CID 3955566
4-(benzenesulfonamido)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 126416723

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide (CID 17485467) is N-(3-chloro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide is COCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is KDOVGCVNGWQWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-12-3-6-14(11-16(12)18)20-17(21)13-4-7-15(8-5-13)25(22,23)19-9-10-24-2/h3-8,11,19H,9-10H2,1-2H3,(H,20,21).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide?
N-(3-chloro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 382.87 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 17485467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).