N-benzhydryl-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C24H25NO3S — CID 100760048

IUPACN-benzhydryl-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCOc1cc2c(cc1S(=O)(=O)NC(c1ccccc1)c1ccccc1)CCCC2
InChIInChI=1S/C24H25NO3S/c1-28-22-16-20-14-8-9-15-21(20)17-23(22)29(26,27)25-24(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,16-17,24-25H,8-9,14-15H2,1H3
InChIKeyPMRBGYVDNJOLNL-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.64
Rot. Bonds6

About N-benzhydryl-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-benzhydryl-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 100760048) has the molecular formula C24H25NO3S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-benzhydryl-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-benzhydryl-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID100760048
Molecular FormulaC24H25NO3S
Molecular Weight407.54 g/mol
Exact Mass407.16
IUPAC NameN-benzhydryl-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCOc1cc2c(cc1S(=O)(=O)NC(c1ccccc1)c1ccccc1)CCCC2
InChIInChI=1S/C24H25NO3S/c1-28-22-16-20-14-8-9-15-21(20)17-23(22)29(26,27)25-24(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,16-17,24-25H,8-9,14-15H2,1H3
InChIKeyPMRBGYVDNJOLNL-UHFFFAOYSA-N
XLogP4.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)propyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 133184162
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100518038
3-methoxy-N-[1-(2-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 133262228
N-[1-(3,4-dimethylphenyl)propyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 133219340
N-benzhydryl-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 100668632
5-bromo-2-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide
CID 112771144
2-methoxy-4,5-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 40921810
3-methoxy-N-(3-methylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100702810
4-chloro-2,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 991853
5-chloro-2-methoxy-N-[(3-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 133224794
N-tert-butyl-2-[(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonylamino]benzamide
CID 100752345
3-methoxy-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100575412

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-benzhydryl-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 100760048) is N-benzhydryl-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-benzhydryl-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-benzhydryl-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is COc1cc2c(cc1S(=O)(=O)NC(c1ccccc1)c1ccccc1)CCCC2.
What is the InChIKey of N-benzhydryl-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is PMRBGYVDNJOLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3S/c1-28-22-16-20-14-8-9-15-21(20)17-23(22)29(26,27)25-24(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,16-17,24-25H,8-9,14-15H2,1H3.
What are the key properties of N-benzhydryl-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-benzhydryl-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 407.54 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 100760048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).