3-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-sulfamoylphenyl)propanamide

C16H17ClN2O3S2 — CID 9140977

IUPAC3-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-sulfamoylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C16H17ClN2O3S2/c1-11-2-5-13(10-15(11)24(18,21)22)19-16(20)8-9-23-14-6-3-12(17)4-7-14/h2-7,10H,8-9H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyOLQRAQKYZNWLKW-UHFFFAOYSA-N
MW384.91 g/mol
LogP3.42
Rot. Bonds6

About 3-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-sulfamoylphenyl)propanamide

3-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-sulfamoylphenyl)propanamide (PubChem CID 9140977) has the molecular formula C16H17ClN2O3S2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-sulfamoylphenyl)propanamide
PubChem CID9140977
Molecular FormulaC16H17ClN2O3S2
Molecular Weight384.91 g/mol
Exact Mass384.04
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-sulfamoylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C16H17ClN2O3S2/c1-11-2-5-13(10-15(11)24(18,21)22)19-16(20)8-9-23-14-6-3-12(17)4-7-14/h2-7,10H,8-9H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyOLQRAQKYZNWLKW-UHFFFAOYSA-N
XLogP3.42
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-3-sulfamoylphenyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 35064694
N-(4-aminophenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 28555537
N-(4-methyl-3-sulfamoylphenyl)-3-propoxypropanamide
CID 62716850
N-(3-amino-4-methylphenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 43376968
3-(4-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9140975
3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 846817
3-(4-ethylphenyl)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9141287
3-(4-chlorophenyl)sulfanyl-N-(4,6-dimethylpyrimidin-2-yl)propanamide
CID 17257510
tert-butyl N-[4-(4-methyl-3-sulfamoylanilino)-4-oxobutyl]carbamate
CID 55408911
3-(4-chlorophenyl)sulfanyl-N-[4-[(S)-methylsulfinyl]phenyl]propanamide
CID 95778337
N-(4-methylphenyl)-2-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]sulfanylacetamide
CID 9141188
2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 112808550

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-sulfamoylphenyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-sulfamoylphenyl)propanamide (CID 9140977) is 3-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-sulfamoylphenyl)propanamide is Cc1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1S(N)(=O)=O.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-sulfamoylphenyl)propanamide?
The InChIKey is OLQRAQKYZNWLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S2/c1-11-2-5-13(10-15(11)24(18,21)22)19-16(20)8-9-23-14-6-3-12(17)4-7-14/h2-7,10H,8-9H2,1H3,(H,19,20)(H2,18,21,22).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-sulfamoylphenyl)propanamide?
3-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-sulfamoylphenyl)propanamide has a molecular weight of 384.91 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 9140977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).