N-(4-acetamidobutyl)-2-chloro-5-(dimethylsulfamoyl)benzamide

C15H22ClN3O4S — CID 110356795

IUPACN-(4-acetamidobutyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
SMILESCC(=O)NCCCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl
InChIInChI=1S/C15H22ClN3O4S/c1-11(20)17-8-4-5-9-18-15(21)13-10-12(6-7-14(13)16)24(22,23)19(2)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyAQSQESWXQOREJV-UHFFFAOYSA-N
MW375.88 g/mol
LogP1.24
Rot. Bonds8

About N-(4-acetamidobutyl)-2-chloro-5-(dimethylsulfamoyl)benzamide

N-(4-acetamidobutyl)-2-chloro-5-(dimethylsulfamoyl)benzamide (PubChem CID 110356795) has the molecular formula C15H22ClN3O4S and a molecular weight of 375.88 g/mol. Its IUPAC name is N-(4-acetamidobutyl)-2-chloro-5-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-acetamidobutyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
PubChem CID110356795
Molecular FormulaC15H22ClN3O4S
Molecular Weight375.88 g/mol
Exact Mass375.10
IUPAC NameN-(4-acetamidobutyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
SMILESCC(=O)NCCCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl
InChIInChI=1S/C15H22ClN3O4S/c1-11(20)17-8-4-5-9-18-15(21)13-10-12(6-7-14(13)16)24(22,23)19(2)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyAQSQESWXQOREJV-UHFFFAOYSA-N
XLogP1.24
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 51.24
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

2-chloro-5-(dimethylsulfamoyl)-N-(4-methylpentyl)benzamide
CID 32612809
2-chloro-N-(4,4-dimethylpentyl)-5-(dimethylsulfamoyl)benzamide
CID 110617791
2-chloro-N-[4-(4-chlorophenoxy)butyl]-5-(dimethylsulfamoyl)benzamide
CID 16567613
2-chloro-5-(dimethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 8884146
2-chloro-N-(3-hydroxypropyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 78854298
2-chloro-5-(diethylsulfamoyl)-N-(4-methoxybutyl)benzamide
CID 55716614
2-chloro-5-(dimethylsulfamoyl)-N-[2-(furan-2-yl)ethyl]benzamide
CID 8916939
N-(2-acetamidoethyl)-2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 26655839
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pentylbenzamide
CID 27659841
methyl 6-[[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]hexanoate
CID 46798864
methyl 6-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]hexanoate
CID 31839407
2-chloro-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(dimethylsulfamoyl)benzamide
CID 60607437

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidobutyl)-2-chloro-5-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-(4-acetamidobutyl)-2-chloro-5-(dimethylsulfamoyl)benzamide (CID 110356795) is N-(4-acetamidobutyl)-2-chloro-5-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-acetamidobutyl)-2-chloro-5-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-(4-acetamidobutyl)-2-chloro-5-(dimethylsulfamoyl)benzamide is CC(=O)NCCCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl.
What is the InChIKey of N-(4-acetamidobutyl)-2-chloro-5-(dimethylsulfamoyl)benzamide?
The InChIKey is AQSQESWXQOREJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O4S/c1-11(20)17-8-4-5-9-18-15(21)13-10-12(6-7-14(13)16)24(22,23)19(2)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of N-(4-acetamidobutyl)-2-chloro-5-(dimethylsulfamoyl)benzamide?
N-(4-acetamidobutyl)-2-chloro-5-(dimethylsulfamoyl)benzamide has a molecular weight of 375.88 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidobutyl)-2-chloro-5-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 110356795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).