N-[2-chloro-4-(3-propoxypropylsulfamoyl)phenyl]acetamide

C14H21ClN2O4S — CID 3870575

IUPACN-[2-chloro-4-(3-propoxypropylsulfamoyl)phenyl]acetamide
SMILESCCCOCCCNS(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1
InChIInChI=1S/C14H21ClN2O4S/c1-3-8-21-9-4-7-16-22(19,20)12-5-6-14(13(15)10-12)17-11(2)18/h5-6,10,16H,3-4,7-9H2,1-2H3,(H,17,18)
InChIKeyHBFUNXKPRYLKSZ-UHFFFAOYSA-N
MW348.85 g/mol
LogP2.39
Rot. Bonds9

About N-[2-chloro-4-(3-propoxypropylsulfamoyl)phenyl]acetamide

N-[2-chloro-4-(3-propoxypropylsulfamoyl)phenyl]acetamide (PubChem CID 3870575) has the molecular formula C14H21ClN2O4S and a molecular weight of 348.85 g/mol. Its IUPAC name is N-[2-chloro-4-(3-propoxypropylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-(3-propoxypropylsulfamoyl)phenyl]acetamide
PubChem CID3870575
Molecular FormulaC14H21ClN2O4S
Molecular Weight348.85 g/mol
Exact Mass348.09
IUPAC NameN-[2-chloro-4-(3-propoxypropylsulfamoyl)phenyl]acetamide
SMILESCCCOCCCNS(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1
InChIInChI=1S/C14H21ClN2O4S/c1-3-8-21-9-4-7-16-22(19,20)12-5-6-14(13(15)10-12)17-11(2)18/h5-6,10,16H,3-4,7-9H2,1-2H3,(H,17,18)
InChIKeyHBFUNXKPRYLKSZ-UHFFFAOYSA-N
XLogP2.39
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 52.39
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

methyl 4-[(4-acetamido-3-chlorophenyl)sulfonylamino]butanoate
CID 3849516
N-[4-(3-propoxypropylsulfamoyl)phenyl]acetamide
CID 3728268
N-[2-chloro-4-(cyclopropylmethylsulfamoyl)phenyl]acetamide
CID 25038635
2-hydroxy-5-(3-propoxypropylsulfamoyl)benzoic acid
CID 82940283
N-[2-chloro-4-(2-cyanoethylsulfamoyl)phenyl]acetamide
CID 3465665
2-iodo-5-(3-propoxypropylsulfamoyl)benzoic acid
CID 103962665
3-amino-4-hydroxy-N-(3-propoxypropyl)benzenesulfonamide
CID 82941344
N-[2-chloro-4-[(2-chlorophenyl)methylsulfamoyl]phenyl]acetamide
CID 25037659
N-[2-methoxy-5-(pentylsulfamoyl)phenyl]acetamide
CID 8777676
N-[2-chloro-4-[(2,5-dichlorophenyl)methylsulfamoyl]phenyl]acetamide
CID 3751983
2-amino-N-(3-propoxypropyl)pyridine-4-sulfonamide
CID 82946971
methyl 2-chloro-5-(3-methoxypropylsulfamoyl)benzoate
CID 100769716

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(3-propoxypropylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-(3-propoxypropylsulfamoyl)phenyl]acetamide (CID 3870575) is N-[2-chloro-4-(3-propoxypropylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-(3-propoxypropylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-(3-propoxypropylsulfamoyl)phenyl]acetamide is CCCOCCCNS(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1.
What is the InChIKey of N-[2-chloro-4-(3-propoxypropylsulfamoyl)phenyl]acetamide?
The InChIKey is HBFUNXKPRYLKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O4S/c1-3-8-21-9-4-7-16-22(19,20)12-5-6-14(13(15)10-12)17-11(2)18/h5-6,10,16H,3-4,7-9H2,1-2H3,(H,17,18).
What are the key properties of N-[2-chloro-4-(3-propoxypropylsulfamoyl)phenyl]acetamide?
N-[2-chloro-4-(3-propoxypropylsulfamoyl)phenyl]acetamide has a molecular weight of 348.85 g/mol, XLogP of 2.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(3-propoxypropylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 3870575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).