N-ethyl-4-(2-methylbutan-2-yl)-N-(3-methylphenyl)benzenesulfonamide

C20H27NO2S — CID 3672777

IUPACN-ethyl-4-(2-methylbutan-2-yl)-N-(3-methylphenyl)benzenesulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C20H27NO2S/c1-6-20(4,5)17-11-13-19(14-12-17)24(22,23)21(7-2)18-10-8-9-16(3)15-18/h8-15H,6-7H2,1-5H3
InChIKeyDCBCCAASRPPZFT-UHFFFAOYSA-N
MW345.51 g/mol
LogP4.90
Rot. Bonds6

About N-ethyl-4-(2-methylbutan-2-yl)-N-(3-methylphenyl)benzenesulfonamide

N-ethyl-4-(2-methylbutan-2-yl)-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 3672777) has the molecular formula C20H27NO2S and a molecular weight of 345.51 g/mol. Its IUPAC name is N-ethyl-4-(2-methylbutan-2-yl)-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(2-methylbutan-2-yl)-N-(3-methylphenyl)benzenesulfonamide
PubChem CID3672777
Molecular FormulaC20H27NO2S
Molecular Weight345.51 g/mol
Exact Mass345.18
IUPAC NameN-ethyl-4-(2-methylbutan-2-yl)-N-(3-methylphenyl)benzenesulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C20H27NO2S/c1-6-20(4,5)17-11-13-19(14-12-17)24(22,23)21(7-2)18-10-8-9-16(3)15-18/h8-15H,6-7H2,1-5H3
InChIKeyDCBCCAASRPPZFT-UHFFFAOYSA-N
XLogP4.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(3-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3835730
4-acetyl-N-ethyl-N-(3-methylphenyl)benzenesulfonamide
CID 5180970
4-[ethyl-(3-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109058243
N-(4-tert-butylphenyl)-3-methyl-N-[4-(2-methylbutan-2-yl)phenyl]aniline;ethane
CID 142315173
3-[ethyl-(4-methylphenyl)sulfonylamino]benzenesulfonic acid
CID 54004952
N-ethyl-2-(methylamino)-N-(3-methylphenyl)pyridine-4-sulfonamide
CID 62146204
4-bromo-N-ethyl-2,5-dimethyl-N-(3-methylphenyl)benzenesulfonamide
CID 66485793
N-ethyl-1-methyl-N-(3-methylphenyl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383266
3-tert-butyl-N-ethyl-1-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide
CID 42283584
5-amino-N-ethyl-N-(3-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 61076203
N-ethyl-N-(3-methylphenyl)-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide
CID 110676994
5-bromo-4-chloro-N-ethyl-N-(3-methylphenyl)thiophene-2-sulfonamide
CID 80578542

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methylbutan-2-yl)-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of N-ethyl-4-(2-methylbutan-2-yl)-N-(3-methylphenyl)benzenesulfonamide (CID 3672777) is N-ethyl-4-(2-methylbutan-2-yl)-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-(2-methylbutan-2-yl)-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-(2-methylbutan-2-yl)-N-(3-methylphenyl)benzenesulfonamide is CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(C(C)(C)CC)cc1.
What is the InChIKey of N-ethyl-4-(2-methylbutan-2-yl)-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is DCBCCAASRPPZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2S/c1-6-20(4,5)17-11-13-19(14-12-17)24(22,23)21(7-2)18-10-8-9-16(3)15-18/h8-15H,6-7H2,1-5H3.
What are the key properties of N-ethyl-4-(2-methylbutan-2-yl)-N-(3-methylphenyl)benzenesulfonamide?
N-ethyl-4-(2-methylbutan-2-yl)-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 345.51 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methylbutan-2-yl)-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 3672777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).