2,5-dimethyl-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide

C18H23NO2S — CID 7777692

IUPAC2,5-dimethyl-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N[C@H](C)CCc2ccccc2)c1
InChIInChI=1S/C18H23NO2S/c1-14-9-10-15(2)18(13-14)22(20,21)19-16(3)11-12-17-7-5-4-6-8-17/h4-10,13,16,19H,11-12H2,1-3H3/t16-/m1/s1
InChIKeyJXBJDLVFOFOBRE-MRXNPFEDSA-N
MW317.45 g/mol
LogP3.60
Rot. Bonds6

About 2,5-dimethyl-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide

2,5-dimethyl-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide (PubChem CID 7777692) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
PubChem CID7777692
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC Name2,5-dimethyl-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N[C@H](C)CCc2ccccc2)c1
InChIInChI=1S/C18H23NO2S/c1-14-9-10-15(2)18(13-14)22(20,21)19-16(3)11-12-17-7-5-4-6-8-17/h4-10,13,16,19H,11-12H2,1-3H3/t16-/m1/s1
InChIKeyJXBJDLVFOFOBRE-MRXNPFEDSA-N
XLogP3.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminobutan-2-yl)-2,5-dimethylbenzenesulfonamide
CID 55033374
2,4-dichloro-5-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 74225948
N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 39086779
2,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzenesulfonamide
CID 95119287
2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide
CID 2439946
4-fluoro-3-methyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 100695385
4-methoxy-2,6-dimethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 133166471
N-[1-(3-methoxyphenyl)propan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 86943047
2,5-dimethyl-N-(4-phenylbutan-2-yl)aniline
CID 43094637
N-(2,4-dimethylpentan-3-yl)-2,5-dimethylbenzenesulfonamide
CID 53289057
4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3870865
4-ethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7765610

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide (CID 7777692) is 2,5-dimethyl-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)N[C@H](C)CCc2ccccc2)c1.
What is the InChIKey of 2,5-dimethyl-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide?
The InChIKey is JXBJDLVFOFOBRE-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23NO2S/c1-14-9-10-15(2)18(13-14)22(20,21)19-16(3)11-12-17-7-5-4-6-8-17/h4-10,13,16,19H,11-12H2,1-3H3/t16-/m1/s1.
What are the key properties of 2,5-dimethyl-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide?
2,5-dimethyl-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide has a molecular weight of 317.45 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 7777692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).