N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-chlorophenyl)methanesulfonamide

C14H18ClNO2S — CID 98442845

IUPACN-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-chlorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)N[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C14H18ClNO2S/c15-13-5-2-10(3-6-13)9-19(17,18)16-14-8-11-1-4-12(14)7-11/h2-3,5-6,11-12,14,16H,1,4,7-9H2/t11-,12-,14-/m0/s1
InChIKeyKQRIYJDHAKEADO-OBJOEFQTSA-N
MW299.82 g/mol
LogP2.95
Rot. Bonds4

About N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-chlorophenyl)methanesulfonamide

N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-chlorophenyl)methanesulfonamide (PubChem CID 98442845) has the molecular formula C14H18ClNO2S and a molecular weight of 299.82 g/mol. Its IUPAC name is N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-chlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-chlorophenyl)methanesulfonamide
PubChem CID98442845
Molecular FormulaC14H18ClNO2S
Molecular Weight299.82 g/mol
Exact Mass299.07
IUPAC NameN-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-chlorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)N[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C14H18ClNO2S/c15-13-5-2-10(3-6-13)9-19(17,18)16-14-8-11-1-4-12(14)7-11/h2-3,5-6,11-12,14,16H,1,4,7-9H2/t11-,12-,14-/m0/s1
InChIKeyKQRIYJDHAKEADO-OBJOEFQTSA-N
XLogP2.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-chlorophenyl)methanesulfonamide with MolForge

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Related Compounds

N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-methylphenyl)methanesulfonamide
CID 27211097
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-(4-fluorophenyl)methanesulfonamide
CID 98112507
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-chlorobenzenesulfonamide
CID 98084772
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-chlorobenzenesulfonamide
CID 50898130
N-(2-bicyclo[2.2.1]heptanyl)-4-chlorobenzenesulfonamide
CID 2894402
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(4-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642579
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(2-methylphenyl)methanesulfonamide
CID 27210550
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2,5-dichlorobenzenesulfonamide
CID 6980060
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenoxy)acetamide
CID 18555875
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 124832494
N-(1-adamantyl)-1-(4-chlorophenyl)methanesulfonamide
CID 18891425
N-(2-bicyclo[2.2.2]octanyl)-1-bromomethanesulfonamide
CID 131113866

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-chlorophenyl)methanesulfonamide?
The IUPAC name of N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-chlorophenyl)methanesulfonamide (CID 98442845) is N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-chlorophenyl)methanesulfonamide.
What is the SMILES notation for N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-chlorophenyl)methanesulfonamide?
The canonical SMILES for N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-chlorophenyl)methanesulfonamide is O=S(=O)(Cc1ccc(Cl)cc1)N[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-chlorophenyl)methanesulfonamide?
The InChIKey is KQRIYJDHAKEADO-OBJOEFQTSA-N. The full InChI is InChI=1S/C14H18ClNO2S/c15-13-5-2-10(3-6-13)9-19(17,18)16-14-8-11-1-4-12(14)7-11/h2-3,5-6,11-12,14,16H,1,4,7-9H2/t11-,12-,14-/m0/s1.
What are the key properties of N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-chlorophenyl)methanesulfonamide?
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-chlorophenyl)methanesulfonamide has a molecular weight of 299.82 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-chlorophenyl)methanesulfonamide is sourced from PubChem (CID 98442845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).