N-(benzenesulfonyl)-N-[(3-tert-butyl-2-methoxyphenyl)methyl]benzenesulfonamide

C24H27NO5S2 — CID 134840619

IUPACN-(benzenesulfonyl)-N-[(3-tert-butyl-2-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1c(CN(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cccc1C(C)(C)C
InChIInChI=1S/C24H27NO5S2/c1-24(2,3)22-17-11-12-19(23(22)30-4)18-25(31(26,27)20-13-7-5-8-14-20)32(28,29)21-15-9-6-10-16-21/h5-17H,18H2,1-4H3
InChIKeyFIIDLWMLOGGJIJ-UHFFFAOYSA-N
MW473.62 g/mol
LogP4.57
Rot. Bonds7

About N-(benzenesulfonyl)-N-[(3-tert-butyl-2-methoxyphenyl)methyl]benzenesulfonamide

N-(benzenesulfonyl)-N-[(3-tert-butyl-2-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 134840619) has the molecular formula C24H27NO5S2 and a molecular weight of 473.62 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-[(3-tert-butyl-2-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-[(3-tert-butyl-2-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID134840619
Molecular FormulaC24H27NO5S2
Molecular Weight473.62 g/mol
Exact Mass473.13
IUPAC NameN-(benzenesulfonyl)-N-[(3-tert-butyl-2-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1c(CN(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cccc1C(C)(C)C
InChIInChI=1S/C24H27NO5S2/c1-24(2,3)22-17-11-12-19(23(22)30-4)18-25(31(26,27)20-13-7-5-8-14-20)32(28,29)21-15-9-6-10-16-21/h5-17H,18H2,1-4H3
InChIKeyFIIDLWMLOGGJIJ-UHFFFAOYSA-N
XLogP4.57
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-tert-butyl-2-methoxyphenyl)acetic acid
CID 21199434
N-(benzenesulfonyl)-N-[(2-methoxy-5-phenylphenyl)methyl]benzenesulfonamide
CID 135064174
1-(3-tert-butyl-2-methoxyphenyl)-N-methylmethanamine
CID 57135698
N-(benzenesulfonyl)-N-[(8-methylquinolin-5-yl)methyl]benzenesulfonamide
CID 132565670
N-[4-[[bis(benzenesulfonyl)amino]methyl]-2-methoxy-5-phenylphenyl]-2,2-dimethylpropanamide
CID 102051292
N-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 56647729
2-(3-ethyl-2-methoxyphenyl)propan-2-amine
CID 117284071
[3-(1,1-difluoroethyl)-2-methoxyphenyl]methanesulfonyl chloride
CID 117458195
N-tert-butyl-N-(methoxymethyl)benzenesulfonamide
CID 69186977
N-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 10277639
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 30329873
1-tert-butyl-2-ethylbenzene;hydrogen peroxide
CID 88799251

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-[(3-tert-butyl-2-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-(benzenesulfonyl)-N-[(3-tert-butyl-2-methoxyphenyl)methyl]benzenesulfonamide (CID 134840619) is N-(benzenesulfonyl)-N-[(3-tert-butyl-2-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-[(3-tert-butyl-2-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-(benzenesulfonyl)-N-[(3-tert-butyl-2-methoxyphenyl)methyl]benzenesulfonamide is COc1c(CN(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cccc1C(C)(C)C.
What is the InChIKey of N-(benzenesulfonyl)-N-[(3-tert-butyl-2-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is FIIDLWMLOGGJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO5S2/c1-24(2,3)22-17-11-12-19(23(22)30-4)18-25(31(26,27)20-13-7-5-8-14-20)32(28,29)21-15-9-6-10-16-21/h5-17H,18H2,1-4H3.
What are the key properties of N-(benzenesulfonyl)-N-[(3-tert-butyl-2-methoxyphenyl)methyl]benzenesulfonamide?
N-(benzenesulfonyl)-N-[(3-tert-butyl-2-methoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 473.62 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-[(3-tert-butyl-2-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 134840619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).