N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-4-methoxybenzenesulfonamide

C15H21NO3S — CID 40597436

IUPACN-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)cc1
InChIInChI=1S/C15H21NO3S/c1-19-14-4-6-15(7-5-14)20(17,18)16-10-13-9-11-2-3-12(13)8-11/h4-7,11-13,16H,2-3,8-10H2,1H3/t11-,12+,13-/m0/s1
InChIKeyKAALWOVPARKGBP-XQQFMLRXSA-N
MW295.40 g/mol
LogP2.41
Rot. Bonds5

About N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-4-methoxybenzenesulfonamide

N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-4-methoxybenzenesulfonamide (PubChem CID 40597436) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-4-methoxybenzenesulfonamide
PubChem CID40597436
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC NameN-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)cc1
InChIInChI=1S/C15H21NO3S/c1-19-14-4-6-15(7-5-14)20(17,18)16-10-13-9-11-2-3-12(13)8-11/h4-7,11-13,16H,2-3,8-10H2,1H3/t11-,12+,13-/m0/s1
InChIKeyKAALWOVPARKGBP-XQQFMLRXSA-N
XLogP2.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-4-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxybenzenesulfonamide
CID 81441291
N-[4-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylsulfamoyl]phenyl]acetamide
CID 7309353
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-nitrobenzenesulfonamide
CID 4003655
N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-4-nitrobenzenesulfonamide
CID 7064921
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methoxybenzenesulfonamide
CID 3732053
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 63684841
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methoxy-2-methylaniline
CID 79555117
N-[[(2S,3S)-2-(4-methoxyphenyl)oxolan-3-yl]methyl]-4-methylbenzenesulfonamide
CID 122230316
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-(4-methoxyphenyl)acetamide
CID 63682993
4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563364
N-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]methyl]-4-(4-methoxyphenoxy)benzenesulfonamide
CID 167845301
2-(2-bicyclo[2.2.1]heptanyl)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]acetamide
CID 78863206

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-4-methoxybenzenesulfonamide (CID 40597436) is N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)cc1.
What is the InChIKey of N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-4-methoxybenzenesulfonamide?
The InChIKey is KAALWOVPARKGBP-XQQFMLRXSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-19-14-4-6-15(7-5-14)20(17,18)16-10-13-9-11-2-3-12(13)8-11/h4-7,11-13,16H,2-3,8-10H2,1H3/t11-,12+,13-/m0/s1.
What are the key properties of N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-4-methoxybenzenesulfonamide?
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-4-methoxybenzenesulfonamide has a molecular weight of 295.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 40597436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).