3-chloro-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide

C16H17ClN2O3S — CID 94830981

IUPAC3-chloro-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCl)cc2)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-12-2-4-14(5-3-12)19-23(21,22)15-8-6-13(7-9-15)18-16(20)10-11-17/h2-9,19H,10-11H2,1H3,(H,18,20)
InChIKeyHTDCJUHXFVLURB-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.36
Rot. Bonds6

About 3-chloro-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide

3-chloro-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide (PubChem CID 94830981) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 3-chloro-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
PubChem CID94830981
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name3-chloro-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCl)cc2)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-12-2-4-14(5-3-12)19-23(21,22)15-8-6-13(7-9-15)18-16(20)10-11-17/h2-9,19H,10-11H2,1H3,(H,18,20)
InChIKeyHTDCJUHXFVLURB-UHFFFAOYSA-N
XLogP3.36
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 4581682
3-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 4199590
4-[3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanoylamino]benzamide
CID 126368002
2-(4-acetamidophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55377318
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 94841476
4-(4-ethylphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-oxobutanamide
CID 55346127
4-[4-[[4-(3-carboxypropanoylamino)phenyl]sulfonylamino]anilino]-4-oxobutanoic acid
CID 7364162
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(4-methylphenyl)acetamide
CID 27228794
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)acetamide
CID 28580249
3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 2234602
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide
CID 21173979
3-chloro-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 43168007

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 3-chloro-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide (CID 94830981) is 3-chloro-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 3-chloro-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 3-chloro-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide is Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCl)cc2)cc1.
What is the InChIKey of 3-chloro-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide?
The InChIKey is HTDCJUHXFVLURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-12-2-4-14(5-3-12)19-23(21,22)15-8-6-13(7-9-15)18-16(20)10-11-17/h2-9,19H,10-11H2,1H3,(H,18,20).
What are the key properties of 3-chloro-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide?
3-chloro-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide has a molecular weight of 352.84 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 94830981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).