N-[3-(cyclopropanecarbonyl)phenyl]propane-1-sulfonamide

C13H17NO3S — CID 112511038

IUPACN-[3-(cyclopropanecarbonyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)C2CC2)c1
InChIInChI=1S/C13H17NO3S/c1-2-8-18(16,17)14-12-5-3-4-11(9-12)13(15)10-6-7-10/h3-5,9-10,14H,2,6-8H2,1H3
InChIKeyDCWVTGPDYOHHGT-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.43
Rot. Bonds6

About N-[3-(cyclopropanecarbonyl)phenyl]propane-1-sulfonamide

N-[3-(cyclopropanecarbonyl)phenyl]propane-1-sulfonamide (PubChem CID 112511038) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-[3-(cyclopropanecarbonyl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(cyclopropanecarbonyl)phenyl]propane-1-sulfonamide
PubChem CID112511038
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC NameN-[3-(cyclopropanecarbonyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)C2CC2)c1
InChIInChI=1S/C13H17NO3S/c1-2-8-18(16,17)14-12-5-3-4-11(9-12)13(15)10-6-7-10/h3-5,9-10,14H,2,6-8H2,1H3
InChIKeyDCWVTGPDYOHHGT-UHFFFAOYSA-N
XLogP2.43
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-(propylsulfonylamino)benzamide
CID 46449543
2-[cyclopropyl-[3-(propylsulfonylamino)benzoyl]amino]propanoic acid
CID 119203491
N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]propane-1-sulfonamide
CID 134019044
N-(2-methylcyclohexyl)-3-(propylsulfonylamino)benzamide
CID 46605709
3-(octylsulfonylamino)benzoic acid
CID 152726076
N-[3-(3-aminopiperidine-1-carbonyl)phenyl]propane-1-sulfonamide
CID 119380877
1-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544395
[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(propylsulfonylamino)benzoate
CID 51933163
3-(propylsulfonylamino)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
CID 25348383
N-[3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide
CID 124726991
N-[3-(cyclopropanecarbonyl)phenyl]formamide
CID 146310044
(2-oxo-2-piperidin-1-ylethyl) 3-(propylsulfonylamino)benzoate
CID 55553184

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropanecarbonyl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-(cyclopropanecarbonyl)phenyl]propane-1-sulfonamide (CID 112511038) is N-[3-(cyclopropanecarbonyl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-(cyclopropanecarbonyl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-(cyclopropanecarbonyl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cccc(C(=O)C2CC2)c1.
What is the InChIKey of N-[3-(cyclopropanecarbonyl)phenyl]propane-1-sulfonamide?
The InChIKey is DCWVTGPDYOHHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-2-8-18(16,17)14-12-5-3-4-11(9-12)13(15)10-6-7-10/h3-5,9-10,14H,2,6-8H2,1H3.
What are the key properties of N-[3-(cyclopropanecarbonyl)phenyl]propane-1-sulfonamide?
N-[3-(cyclopropanecarbonyl)phenyl]propane-1-sulfonamide has a molecular weight of 267.35 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropanecarbonyl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 112511038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).