N-[2-[(2S)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide

C20H27NO4S — CID 9055939

IUPACN-[2-[(2S)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2[C@@H](C)CC)cc1OCC
InChIInChI=1S/C20H27NO4S/c1-5-15(4)17-10-8-9-11-18(17)21-26(22,23)16-12-13-19(24-6-2)20(14-16)25-7-3/h8-15,21H,5-7H2,1-4H3/t15-/m0/s1
InChIKeyMHHCTEGUNTVZJB-HNNXBMFYSA-N
MW377.51 g/mol
LogP4.80
Rot. Bonds9

About N-[2-[(2S)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide

N-[2-[(2S)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide (PubChem CID 9055939) has the molecular formula C20H27NO4S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[2-[(2S)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(2S)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide
PubChem CID9055939
Molecular FormulaC20H27NO4S
Molecular Weight377.51 g/mol
Exact Mass377.17
IUPAC NameN-[2-[(2S)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2[C@@H](C)CC)cc1OCC
InChIInChI=1S/C20H27NO4S/c1-5-15(4)17-10-8-9-11-18(17)21-26(22,23)16-12-13-19(24-6-2)20(14-16)25-7-3/h8-15,21H,5-7H2,1-4H3/t15-/m0/s1
InChIKeyMHHCTEGUNTVZJB-HNNXBMFYSA-N
XLogP4.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2R)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide
CID 9055938
3,4-diethoxy-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 17481529
N-(2,3-dimethylphenyl)-3,4-diethoxybenzenesulfonamide
CID 9055836
2-[(3,4-diethoxyphenyl)sulfonylamino]benzamide
CID 9055880
N-(2-butan-2-ylphenyl)-4-methoxybenzenesulfonamide
CID 3862587
N-(2-butan-2-ylphenyl)-3-methylbenzenesulfonamide
CID 25036710
N-(2-butan-2-ylphenyl)-4-fluorobenzenesulfonamide
CID 4678520
N-[2-[(2R)-butan-2-yl]phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 26012723
4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 4214214
N-(5-chloro-2-methoxyphenyl)-3,4-diethoxybenzenesulfonamide
CID 9172723
3,4-diethoxy-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 9056028
3,4-diethoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 9030810

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide?
The IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide (CID 9055939) is N-[2-[(2S)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-[(2S)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide?
The canonical SMILES for N-[2-[(2S)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccccc2[C@@H](C)CC)cc1OCC.
What is the InChIKey of N-[2-[(2S)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide?
The InChIKey is MHHCTEGUNTVZJB-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H27NO4S/c1-5-15(4)17-10-8-9-11-18(17)21-26(22,23)16-12-13-19(24-6-2)20(14-16)25-7-3/h8-15,21H,5-7H2,1-4H3/t15-/m0/s1.
What are the key properties of N-[2-[(2S)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide?
N-[2-[(2S)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide has a molecular weight of 377.51 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide is sourced from PubChem (CID 9055939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).