4-methyl-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide

C17H25NO2S — CID 50936368

IUPAC4-methyl-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1
InChIInChI=1S/C17H25NO2S/c1-12-5-7-14(8-6-12)21(19,20)18-15-16(2,3)13-9-10-17(15,4)11-13/h5-8,13,15,18H,9-11H2,1-4H3/t13-,15+,17+/m1/s1
InChIKeyKTLAHCVACUMZQU-KMFMINBZSA-N
MW307.46 g/mol
LogP3.49
Rot. Bonds3

About 4-methyl-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide

4-methyl-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide (PubChem CID 50936368) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is 4-methyl-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide
PubChem CID50936368
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name4-methyl-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1
InChIInChI=1S/C17H25NO2S/c1-12-5-7-14(8-6-12)21(19,20)18-15-16(2,3)13-9-10-17(15,4)11-13/h5-8,13,15,18H,9-11H2,1-4H3/t13-,15+,17+/m1/s1
InChIKeyKTLAHCVACUMZQU-KMFMINBZSA-N
XLogP3.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide 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-methyl-N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide
CID 2817636
2,4,5-trichloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide
CID 2802650
N-[(1S,3R)-3-amino-2,2,3-trimethylcyclopentyl]-4-methylbenzenesulfonamide
CID 102363883
4-methyl-N-[(1R,2R)-2-(4-methylphenyl)sulfonylcyclohexyl]benzenesulfonamide
CID 25015867
N-cyclopent-2-en-1-yl-4-methylbenzenesulfonamide
CID 11183983
5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide
CID 6977648
4-methyl-N-[(1S,2S)-2-methyl-2-propanoylcyclohexyl]benzenesulfonamide
CID 134926580
N-[(3R)-3-ethyl-4,4-dimethylcyclohexyl]-4-methylbenzenesulfonamide
CID 134950538
4-methyl-N-[(3R,4R)-1-oxaspiro[2.5]octan-4-yl]benzenesulfonamide
CID 11845877
N-[2-[(7S)-1,7-dimethyl-2-oxo-7-bicyclo[2.2.1]heptanyl]ethyl]-4-methylbenzenesulfonamide
CID 16681770
N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4-methylbenzenesulfonamide
CID 15500178
(1R,4S)-N-(2,4-dichlorophenyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400265

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide (CID 50936368) is 4-methyl-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H]2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1.
What is the InChIKey of 4-methyl-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide?
The InChIKey is KTLAHCVACUMZQU-KMFMINBZSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-12-5-7-14(8-6-12)21(19,20)18-15-16(2,3)13-9-10-17(15,4)11-13/h5-8,13,15,18H,9-11H2,1-4H3/t13-,15+,17+/m1/s1.
What are the key properties of 4-methyl-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide?
4-methyl-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide has a molecular weight of 307.46 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide is sourced from PubChem (CID 50936368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).