5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide

C14H19ClN2O3S — CID 43347060

IUPAC5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide
SMILESO=C(CCCCCl)Nc1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C14H19ClN2O3S/c15-9-2-1-6-14(18)16-12-4-3-5-13(10-12)21(19,20)17-11-7-8-11/h3-5,10-11,17H,1-2,6-9H2,(H,16,18)
InChIKeyVSKSRUKWURJTPO-UHFFFAOYSA-N
MW330.84 g/mol
LogP2.47
Rot. Bonds8

About 5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide

5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide (PubChem CID 43347060) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is 5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide
PubChem CID43347060
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide
SMILESO=C(CCCCCl)Nc1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C14H19ClN2O3S/c15-9-2-1-6-14(18)16-12-4-3-5-13(10-12)21(19,20)17-11-7-8-11/h3-5,10-11,17H,1-2,6-9H2,(H,16,18)
InChIKeyVSKSRUKWURJTPO-UHFFFAOYSA-N
XLogP2.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide
CID 107907884
N-[3-[3-(cyclopropylsulfamoyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24655241
N-[3-(cyclopropylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 38140750
5-chloro-N-[3-(dimethylsulfamoyl)phenyl]pentanamide
CID 43346819
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60718564
N-[3-(cyclopropylsulfamoyl)phenyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 55477994
N-[3-(cyclopropylsulfamoyl)phenyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 24646324
4-bromo-N-[3-[3-(cyclopropylsulfamoyl)anilino]-3-oxopropyl]benzamide
CID 24582386
N-[3-(cyclohexylsulfamoyl)phenyl]acetamide
CID 47314930
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(2-methoxyethoxy)acetamide
CID 43037721
3-(1,3-benzodioxol-5-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]propanamide
CID 24582409
N-[3-(butylsulfamoyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
CID 30829010

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide?
The IUPAC name of 5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide (CID 43347060) is 5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide?
The canonical SMILES for 5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide is O=C(CCCCCl)Nc1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide?
The InChIKey is VSKSRUKWURJTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c15-9-2-1-6-14(18)16-12-4-3-5-13(10-12)21(19,20)17-11-7-8-11/h3-5,10-11,17H,1-2,6-9H2,(H,16,18).
What are the key properties of 5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide?
5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide has a molecular weight of 330.84 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide is sourced from PubChem (CID 43347060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).