N-butan-2-yl-2-(3-chloropropylsulfonylamino)benzamide

C14H21ClN2O3S — CID 43653866

IUPACN-butan-2-yl-2-(3-chloropropylsulfonylamino)benzamide
SMILESCCC(C)NC(=O)c1ccccc1NS(=O)(=O)CCCCl
InChIInChI=1S/C14H21ClN2O3S/c1-3-11(2)16-14(18)12-7-4-5-8-13(12)17-21(19,20)10-6-9-15/h4-5,7-8,11,17H,3,6,9-10H2,1-2H3,(H,16,18)
InChIKeyWEFOQCKDAZPKLH-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.59
Rot. Bonds8

About N-butan-2-yl-2-(3-chloropropylsulfonylamino)benzamide

N-butan-2-yl-2-(3-chloropropylsulfonylamino)benzamide (PubChem CID 43653866) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is N-butan-2-yl-2-(3-chloropropylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(3-chloropropylsulfonylamino)benzamide
PubChem CID43653866
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC NameN-butan-2-yl-2-(3-chloropropylsulfonylamino)benzamide
SMILESCCC(C)NC(=O)c1ccccc1NS(=O)(=O)CCCCl
InChIInChI=1S/C14H21ClN2O3S/c1-3-11(2)16-14(18)12-7-4-5-8-13(12)17-21(19,20)10-6-9-15/h4-5,7-8,11,17H,3,6,9-10H2,1-2H3,(H,16,18)
InChIKeyWEFOQCKDAZPKLH-UHFFFAOYSA-N
XLogP2.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.59
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-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide
CID 967070
N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 2947064
N-[(2S)-1-aminopropan-2-yl]-2-(ethylsulfonylamino)benzamide
CID 120505355
(2S)-2-[[2-(propylsulfonylamino)benzoyl]amino]propanoic acid
CID 119943359
N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 51170211
2-[[2-(propylsulfonylamino)benzoyl]amino]butanoic acid
CID 120523197
3-(3-chloropropylsulfonylamino)-2-methylbenzoic acid
CID 54877288
N-[(2R)-butan-2-yl]-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 1289488
2-[[2-(ethylsulfonylamino)benzoyl]amino]propanoic acid
CID 119225575
N-(2-methylpropyl)-2-(propylsulfonylamino)benzamide
CID 47104367
N-butan-2-yl-2-propylsulfonylbenzamide
CID 17224858
N-butan-2-yl-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide
CID 2968059

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(3-chloropropylsulfonylamino)benzamide?
The IUPAC name of N-butan-2-yl-2-(3-chloropropylsulfonylamino)benzamide (CID 43653866) is N-butan-2-yl-2-(3-chloropropylsulfonylamino)benzamide.
What is the SMILES notation for N-butan-2-yl-2-(3-chloropropylsulfonylamino)benzamide?
The canonical SMILES for N-butan-2-yl-2-(3-chloropropylsulfonylamino)benzamide is CCC(C)NC(=O)c1ccccc1NS(=O)(=O)CCCCl.
What is the InChIKey of N-butan-2-yl-2-(3-chloropropylsulfonylamino)benzamide?
The InChIKey is WEFOQCKDAZPKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-3-11(2)16-14(18)12-7-4-5-8-13(12)17-21(19,20)10-6-9-15/h4-5,7-8,11,17H,3,6,9-10H2,1-2H3,(H,16,18).
What are the key properties of N-butan-2-yl-2-(3-chloropropylsulfonylamino)benzamide?
N-butan-2-yl-2-(3-chloropropylsulfonylamino)benzamide has a molecular weight of 332.85 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(3-chloropropylsulfonylamino)benzamide is sourced from PubChem (CID 43653866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).