N-[1-(4-butan-2-ylphenyl)propyl]-2,4-dimethoxybenzenesulfonamide

C21H29NO4S — CID 22201208

IUPACN-[1-(4-butan-2-ylphenyl)propyl]-2,4-dimethoxybenzenesulfonamide
SMILESCCC(C)c1ccc(C(CC)NS(=O)(=O)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C21H29NO4S/c1-6-15(3)16-8-10-17(11-9-16)19(7-2)22-27(23,24)21-13-12-18(25-4)14-20(21)26-5/h8-15,19,22H,6-7H2,1-5H3
InChIKeyHAHABSUWFHMYHD-UHFFFAOYSA-N
MW391.53 g/mol
LogP4.65
Rot. Bonds9

About N-[1-(4-butan-2-ylphenyl)propyl]-2,4-dimethoxybenzenesulfonamide

N-[1-(4-butan-2-ylphenyl)propyl]-2,4-dimethoxybenzenesulfonamide (PubChem CID 22201208) has the molecular formula C21H29NO4S and a molecular weight of 391.53 g/mol. Its IUPAC name is N-[1-(4-butan-2-ylphenyl)propyl]-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-butan-2-ylphenyl)propyl]-2,4-dimethoxybenzenesulfonamide
PubChem CID22201208
Molecular FormulaC21H29NO4S
Molecular Weight391.53 g/mol
Exact Mass391.18
IUPAC NameN-[1-(4-butan-2-ylphenyl)propyl]-2,4-dimethoxybenzenesulfonamide
SMILESCCC(C)c1ccc(C(CC)NS(=O)(=O)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C21H29NO4S/c1-6-15(3)16-8-10-17(11-9-16)19(7-2)22-27(23,24)21-13-12-18(25-4)14-20(21)26-5/h8-15,19,22H,6-7H2,1-5H3
InChIKeyHAHABSUWFHMYHD-UHFFFAOYSA-N
XLogP4.65
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.53
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22201254
4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide
CID 43904682
N-[1-(4-tert-butylphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22772320
N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 133210573
4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3,5-dimethylbenzenesulfonamide
CID 112823035
4-methoxy-2,3-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide
CID 133184980
2,4-dimethoxy-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide
CID 40790424
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)propyl]benzenesulfonamide
CID 22772279
4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide
CID 40753625
2-methoxy-N,4-di(propan-2-yl)benzenesulfonamide
CID 110758402
4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201321
N-[1-(4-butan-2-ylphenyl)propyl]-2,5-difluorobenzenesulfonamide
CID 22201214

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butan-2-ylphenyl)propyl]-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[1-(4-butan-2-ylphenyl)propyl]-2,4-dimethoxybenzenesulfonamide (CID 22201208) is N-[1-(4-butan-2-ylphenyl)propyl]-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[1-(4-butan-2-ylphenyl)propyl]-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[1-(4-butan-2-ylphenyl)propyl]-2,4-dimethoxybenzenesulfonamide is CCC(C)c1ccc(C(CC)NS(=O)(=O)c2ccc(OC)cc2OC)cc1.
What is the InChIKey of N-[1-(4-butan-2-ylphenyl)propyl]-2,4-dimethoxybenzenesulfonamide?
The InChIKey is HAHABSUWFHMYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO4S/c1-6-15(3)16-8-10-17(11-9-16)19(7-2)22-27(23,24)21-13-12-18(25-4)14-20(21)26-5/h8-15,19,22H,6-7H2,1-5H3.
What are the key properties of N-[1-(4-butan-2-ylphenyl)propyl]-2,4-dimethoxybenzenesulfonamide?
N-[1-(4-butan-2-ylphenyl)propyl]-2,4-dimethoxybenzenesulfonamide has a molecular weight of 391.53 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butan-2-ylphenyl)propyl]-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 22201208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).