N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C18H24N2O4S — CID 124832613

IUPACN-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1N1CCCC1=O
InChIInChI=1S/C18H24N2O4S/c1-24-17-7-6-14(11-16(17)20-8-2-3-18(20)21)25(22,23)19-15-10-12-4-5-13(15)9-12/h6-7,11-13,15,19H,2-5,8-10H2,1H3/t12-,13-,15+/m0/s1
InChIKeyGORHNYQTQWDZIW-KCQAQPDRSA-N
MW364.47 g/mol
LogP2.29
Rot. Bonds5

About N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 124832613) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID124832613
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC NameN-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1N1CCCC1=O
InChIInChI=1S/C18H24N2O4S/c1-24-17-7-6-14(11-16(17)20-8-2-3-18(20)21)25(22,23)19-15-10-12-4-5-13(15)9-12/h6-7,11-13,15,19H,2-5,8-10H2,1H3/t12-,13-,15+/m0/s1
InChIKeyGORHNYQTQWDZIW-KCQAQPDRSA-N
XLogP2.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3-bromo-4-methoxybenzenesulfonamide
CID 1092308
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-iodo-4-methoxybenzenesulfonamide
CID 6553841
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-iodo-4-methoxybenzenesulfonamide
CID 7480344
3-(azepane-1-carbonyl)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-methoxybenzenesulfonamide
CID 7450128
methyl 1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-4-carboxylate
CID 43908989
4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 46763903
4-methoxy-N-(3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 53284103
N-[4-(1-adamantyl)phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 46764001
5-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide
CID 98054835
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 43916699
4-methoxy-N,N-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 38015477
4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 92676550

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 124832613) is N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1N1CCCC1=O.
What is the InChIKey of N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is GORHNYQTQWDZIW-KCQAQPDRSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-24-17-7-6-14(11-16(17)20-8-2-3-18(20)21)25(22,23)19-15-10-12-4-5-13(15)9-12/h6-7,11-13,15,19H,2-5,8-10H2,1H3/t12-,13-,15+/m0/s1.
What are the key properties of N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 364.47 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 124832613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).