N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide

C14H18N2O4S — CID 2326520

IUPACN-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NC1CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C14H18N2O4S/c17-14(15-12-4-5-12)11-2-1-3-13(10-11)21(18,19)16-6-8-20-9-7-16/h1-3,10,12H,4-9H2,(H,15,17)
InChIKeyAAKBYDRWOPEBSH-UHFFFAOYSA-N
MW310.37 g/mol
LogP0.60
Rot. Bonds4

About N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide

N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 2326520) has the molecular formula C14H18N2O4S and a molecular weight of 310.37 g/mol. Its IUPAC name is N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID2326520
Molecular FormulaC14H18N2O4S
Molecular Weight310.37 g/mol
Exact Mass310.10
IUPAC NameN-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NC1CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C14H18N2O4S/c17-14(15-12-4-5-12)11-2-1-3-13(10-11)21(18,19)16-6-8-20-9-7-16/h1-3,10,12H,4-9H2,(H,15,17)
InChIKeyAAKBYDRWOPEBSH-UHFFFAOYSA-N
XLogP0.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Aminodi(Ethyloxy)Ethylaminocarbonylbenzenesulfonamide
CID 2144
N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1076675
Phenylalanylaminodi(ethyloxy)ethyl benzenesulfonamideaminocarbonylbenzenesulfonamide
CID 444849
N-(4-methylcyclohexyl)-3-(4-methylpiperazino)sulfonyl-benzamide
CID 24983123
N-benzyl-3-piperidin-1-ylsulfonylbenzamide
CID 1076673
(4-Methylpiperidin-1-yl)(4-(morpholinosulfonyl)phenyl)methanone
CID 1158041
Aminomethylenecarbonylaminodi(ethyloxy)ethylaminocarbonylbenzenesulfonamide
CID 2150
4-Sulfonamide-(1-(4-Aminobutane))Benzamide
CID 1758
4-Sulfamoyl-N-(3-morpholinopropyl)benzamide (I-1)
CID 25060316
2,5-dimethyl-N-[4-(4-morpholinylcarbonyl)benzyl]benzenesulfonamide
CID 984387
[4-(2-Methyl-piperidine-1-sulfonyl)-phenyl]-morpholin-4-yl-methanone
CID 2889869
1-[3-(2,6-Dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidine-4-carboxamide
CID 4100781

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide (CID 2326520) is N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide is O=C(NC1CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is AAKBYDRWOPEBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c17-14(15-12-4-5-12)11-2-1-3-13(10-11)21(18,19)16-6-8-20-9-7-16/h1-3,10,12H,4-9H2,(H,15,17).
What are the key properties of N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide?
N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 310.37 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2326520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).