N-[2-[(2R)-butan-2-yl]phenyl]-4-(2-methylpropyl)benzenesulfonamide

C20H27NO2S — CID 26012723

IUPACN-[2-[(2R)-butan-2-yl]phenyl]-4-(2-methylpropyl)benzenesulfonamide
SMILESCC[C@@H](C)c1ccccc1NS(=O)(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C20H27NO2S/c1-5-16(4)19-8-6-7-9-20(19)21-24(22,23)18-12-10-17(11-13-18)14-15(2)3/h6-13,15-16,21H,5,14H2,1-4H3/t16-/m1/s1
InChIKeyCFIUWJCTZKTNJT-MRXNPFEDSA-N
MW345.51 g/mol
LogP5.20
Rot. Bonds7

About N-[2-[(2R)-butan-2-yl]phenyl]-4-(2-methylpropyl)benzenesulfonamide

N-[2-[(2R)-butan-2-yl]phenyl]-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 26012723) has the molecular formula C20H27NO2S and a molecular weight of 345.51 g/mol. Its IUPAC name is N-[2-[(2R)-butan-2-yl]phenyl]-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(2R)-butan-2-yl]phenyl]-4-(2-methylpropyl)benzenesulfonamide
PubChem CID26012723
Molecular FormulaC20H27NO2S
Molecular Weight345.51 g/mol
Exact Mass345.18
IUPAC NameN-[2-[(2R)-butan-2-yl]phenyl]-4-(2-methylpropyl)benzenesulfonamide
SMILESCC[C@@H](C)c1ccccc1NS(=O)(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C20H27NO2S/c1-5-16(4)19-8-6-7-9-20(19)21-24(22,23)18-12-10-17(11-13-18)14-15(2)3/h6-13,15-16,21H,5,14H2,1-4H3/t16-/m1/s1
InChIKeyCFIUWJCTZKTNJT-MRXNPFEDSA-N
XLogP5.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.51
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-butan-2-ylphenyl)-4-fluorobenzenesulfonamide
CID 4678520
N-(2-butan-2-ylphenyl)-4-methoxybenzenesulfonamide
CID 3862587
N-(2-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773415
4-(2-methylpropyl)-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 17388107
N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 22202709
N-(2-butan-2-ylphenyl)-3-methylbenzenesulfonamide
CID 25036710
N-[2-[(2R)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide
CID 9055938
N-[2-[(2S)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide
CID 9055939
4-(aminomethyl)-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 29045454
N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822857
4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 19681167
N-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773341

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-butan-2-yl]phenyl]-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-[2-[(2R)-butan-2-yl]phenyl]-4-(2-methylpropyl)benzenesulfonamide (CID 26012723) is N-[2-[(2R)-butan-2-yl]phenyl]-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-[2-[(2R)-butan-2-yl]phenyl]-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-[2-[(2R)-butan-2-yl]phenyl]-4-(2-methylpropyl)benzenesulfonamide is CC[C@@H](C)c1ccccc1NS(=O)(=O)c1ccc(CC(C)C)cc1.
What is the InChIKey of N-[2-[(2R)-butan-2-yl]phenyl]-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is CFIUWJCTZKTNJT-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27NO2S/c1-5-16(4)19-8-6-7-9-20(19)21-24(22,23)18-12-10-17(11-13-18)14-15(2)3/h6-13,15-16,21H,5,14H2,1-4H3/t16-/m1/s1.
What are the key properties of N-[2-[(2R)-butan-2-yl]phenyl]-4-(2-methylpropyl)benzenesulfonamide?
N-[2-[(2R)-butan-2-yl]phenyl]-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 345.51 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-butan-2-yl]phenyl]-4-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 26012723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).