N-[4-[2-chloroethyl(propyl)sulfamoyl]phenyl]acetamide

C13H19ClN2O3S — CID 63397159

IUPACN-[4-[2-chloroethyl(propyl)sulfamoyl]phenyl]acetamide
SMILESCCCN(CCCl)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H19ClN2O3S/c1-3-9-16(10-8-14)20(18,19)13-6-4-12(5-7-13)15-11(2)17/h4-7H,3,8-10H2,1-2H3,(H,15,17)
InChIKeyOXLBTDAWSMRDFM-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.28
Rot. Bonds7

About N-[4-[2-chloroethyl(propyl)sulfamoyl]phenyl]acetamide

N-[4-[2-chloroethyl(propyl)sulfamoyl]phenyl]acetamide (PubChem CID 63397159) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is N-[4-[2-chloroethyl(propyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-chloroethyl(propyl)sulfamoyl]phenyl]acetamide
PubChem CID63397159
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC NameN-[4-[2-chloroethyl(propyl)sulfamoyl]phenyl]acetamide
SMILESCCCN(CCCl)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H19ClN2O3S/c1-3-9-16(10-8-14)20(18,19)13-6-4-12(5-7-13)15-11(2)17/h4-7H,3,8-10H2,1-2H3,(H,15,17)
InChIKeyOXLBTDAWSMRDFM-UHFFFAOYSA-N
XLogP2.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-chloroethyl(2,2-difluoroethyl)sulfamoyl]phenyl]acetamide
CID 107492878
3-chloro-N-[4-(dibutylsulfamoyl)phenyl]propanamide
CID 94830973
N-[4-[butyl(ethyl)sulfamoyl]phenyl]acetamide
CID 2164655
N,N'-bis[4-(dipropylsulfamoyl)phenyl]decanediamide
CID 17080128
N-[4-[ethyl(2-hydroxyethyl)sulfamoyl]phenyl]acetamide
CID 39387601
N-[4-(dipropylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 1213799
N-[(4-acetamidophenyl)methylideneamino]-4-(dipropylsulfamoyl)benzamide
CID 2803391
4-(dipropylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 4012286
2,2,2-trichloroethyl N-[4-(dipropylsulfamoyl)phenyl]carbamate
CID 155678497
4-[bis(2-chloroethyl)sulfamoyl]-N-[4-[[4-[[4-[bis(2-chloroethyl)sulfamoyl]benzoyl]amino]phenyl]methyl]phenyl]benzamide
CID 21203412
2-[(4-acetamidophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide
CID 4885065
2-[(4-acetamidophenyl)sulfonyl-pentylamino]-N-hydroxyacetamide
CID 142683353

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-chloroethyl(propyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-chloroethyl(propyl)sulfamoyl]phenyl]acetamide (CID 63397159) is N-[4-[2-chloroethyl(propyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-chloroethyl(propyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-chloroethyl(propyl)sulfamoyl]phenyl]acetamide is CCCN(CCCl)S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[2-chloroethyl(propyl)sulfamoyl]phenyl]acetamide?
The InChIKey is OXLBTDAWSMRDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-3-9-16(10-8-14)20(18,19)13-6-4-12(5-7-13)15-11(2)17/h4-7H,3,8-10H2,1-2H3,(H,15,17).
What are the key properties of N-[4-[2-chloroethyl(propyl)sulfamoyl]phenyl]acetamide?
N-[4-[2-chloroethyl(propyl)sulfamoyl]phenyl]acetamide has a molecular weight of 318.83 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-chloroethyl(propyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 63397159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).