N,N-bis[4-(2-methylpropyl)phenyl]benzenesulfonamide

C26H31NO2S — CID 141472327

IUPACN,N-bis[4-(2-methylpropyl)phenyl]benzenesulfonamide
SMILESCC(C)Cc1ccc(N(c2ccc(CC(C)C)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H31NO2S/c1-20(2)18-22-10-14-24(15-11-22)27(30(28,29)26-8-6-5-7-9-26)25-16-12-23(13-17-25)19-21(3)4/h5-17,20-21H,18-19H2,1-4H3
InChIKeyQFQIPMXWQQDEHH-UHFFFAOYSA-N
MW421.61 g/mol
LogP6.61
Rot. Bonds8

About N,N-bis[4-(2-methylpropyl)phenyl]benzenesulfonamide

N,N-bis[4-(2-methylpropyl)phenyl]benzenesulfonamide (PubChem CID 141472327) has the molecular formula C26H31NO2S and a molecular weight of 421.61 g/mol. Its IUPAC name is N,N-bis[4-(2-methylpropyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-bis[4-(2-methylpropyl)phenyl]benzenesulfonamide
PubChem CID141472327
Molecular FormulaC26H31NO2S
Molecular Weight421.61 g/mol
Exact Mass421.21
IUPAC NameN,N-bis[4-(2-methylpropyl)phenyl]benzenesulfonamide
SMILESCC(C)Cc1ccc(N(c2ccc(CC(C)C)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H31NO2S/c1-20(2)18-22-10-14-24(15-11-22)27(30(28,29)26-8-6-5-7-9-26)25-16-12-23(13-17-25)19-21(3)4/h5-17,20-21H,18-19H2,1-4H3
InChIKeyQFQIPMXWQQDEHH-UHFFFAOYSA-N
XLogP6.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.61
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-4-(2-methylpropyl)benzenesulfonamide
CID 14574391
N,N-bis(4-hydroxyphenyl)benzenesulfonamide
CID 44580343
N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 55060733
N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide
CID 158565705
ethane;2-methylpropylbenzene;2-methylpropylsulfonylbenzene
CID 160599750
N-[4-(aminomethyl)phenyl]-N-propan-2-ylbenzenesulfonamide
CID 43276074
4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]-N-propan-2-ylaniline
CID 170058687
ethane;2-methylpropylbenzene
CID 162200929
1-(2-methylpropyl)-4-[4-(4-phenoxyphenyl)sulfonylphenoxy]benzene
CID 139568524
N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 97083157
1-(2-methylpropyl)-4-(2-phenylethyl)benzene
CID 56625667
N-(4-bromophenyl)-N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]benzenesulfonamide
CID 3779849

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(2-methylpropyl)phenyl]benzenesulfonamide?
The IUPAC name of N,N-bis[4-(2-methylpropyl)phenyl]benzenesulfonamide (CID 141472327) is N,N-bis[4-(2-methylpropyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N,N-bis[4-(2-methylpropyl)phenyl]benzenesulfonamide?
The canonical SMILES for N,N-bis[4-(2-methylpropyl)phenyl]benzenesulfonamide is CC(C)Cc1ccc(N(c2ccc(CC(C)C)cc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N,N-bis[4-(2-methylpropyl)phenyl]benzenesulfonamide?
The InChIKey is QFQIPMXWQQDEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO2S/c1-20(2)18-22-10-14-24(15-11-22)27(30(28,29)26-8-6-5-7-9-26)25-16-12-23(13-17-25)19-21(3)4/h5-17,20-21H,18-19H2,1-4H3.
What are the key properties of N,N-bis[4-(2-methylpropyl)phenyl]benzenesulfonamide?
N,N-bis[4-(2-methylpropyl)phenyl]benzenesulfonamide has a molecular weight of 421.61 g/mol, XLogP of 6.61, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(2-methylpropyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 141472327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).