N-[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C18H24N2O3S — CID 98137630

IUPACN-[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCc1ccc(N2CCCC2=O)cc1S(=O)(=O)NC1[C@@H]2CCCC[C@@H]12
InChIInChI=1S/C18H24N2O3S/c1-12-8-9-13(20-10-4-7-17(20)21)11-16(12)24(22,23)19-18-14-5-2-3-6-15(14)18/h8-9,11,14-15,18-19H,2-7,10H2,1H3/t14-,15-/m1/s1
InChIKeyUDGLKALCECTBRS-HUUCEWRRSA-N
MW348.47 g/mol
LogP2.59
Rot. Bonds4

About N-[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 98137630) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID98137630
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCc1ccc(N2CCCC2=O)cc1S(=O)(=O)NC1[C@@H]2CCCC[C@@H]12
InChIInChI=1S/C18H24N2O3S/c1-12-8-9-13(20-10-4-7-17(20)21)11-16(12)24(22,23)19-18-14-5-2-3-6-15(14)18/h8-9,11,14-15,18-19H,2-7,10H2,1H3/t14-,15-/m1/s1
InChIKeyUDGLKALCECTBRS-HUUCEWRRSA-N
XLogP2.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 98137665
N-cyclopentyl-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 47081376
N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 52508786
2-methyl-5-(2-oxopyrrolidin-1-yl)-N-(1-phenylcyclopropyl)benzenesulfonamide
CID 16673933
N-[1-(4-methoxyphenyl)cyclopropyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 16676310
N-(2-methoxy-3-pyridinyl)-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 46966844
1-(3-iodo-4-methylphenyl)pyrrolidin-2-one
CID 70646399
(2,3,6-trimethylphenyl) 2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonate
CID 60591526
N-cyclooctyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 18096700
methyl 4-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzoate
CID 35530952
1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 70195701
N-[(1S)-1-[3-[[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]ethyl]acetamide
CID 25300845

Frequently Asked Questions

What is the IUPAC name of N-[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 98137630) is N-[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide is Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)NC1[C@@H]2CCCC[C@@H]12.
What is the InChIKey of N-[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is UDGLKALCECTBRS-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-12-8-9-13(20-10-4-7-17(20)21)11-16(12)24(22,23)19-18-14-5-2-3-6-15(14)18/h8-9,11,14-15,18-19H,2-7,10H2,1H3/t14-,15-/m1/s1.
What are the key properties of N-[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 98137630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).