N-[(2S)-1-methoxypropan-2-yl]-2-phenylbenzenesulfonamide

C16H19NO3S — CID 39977591

IUPACN-[(2S)-1-methoxypropan-2-yl]-2-phenylbenzenesulfonamide
SMILESCOC[C@H](C)NS(=O)(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C16H19NO3S/c1-13(12-20-2)17-21(18,19)16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,13,17H,12H2,1-2H3/t13-/m0/s1
InChIKeyWDUFRIKIXIQYCC-ZDUSSCGKSA-N
MW305.40 g/mol
LogP2.67
Rot. Bonds6

About N-[(2S)-1-methoxypropan-2-yl]-2-phenylbenzenesulfonamide

N-[(2S)-1-methoxypropan-2-yl]-2-phenylbenzenesulfonamide (PubChem CID 39977591) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]-2-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]-2-phenylbenzenesulfonamide
PubChem CID39977591
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]-2-phenylbenzenesulfonamide
SMILESCOC[C@H](C)NS(=O)(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C16H19NO3S/c1-13(12-20-2)17-21(18,19)16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,13,17H,12H2,1-2H3/t13-/m0/s1
InChIKeyWDUFRIKIXIQYCC-ZDUSSCGKSA-N
XLogP2.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 60823050
2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 43456724
N-[2-(methylamino)propyl]-2-phenylbenzenesulfonamide;hydrochloride
CID 120825515
3-(aminomethyl)-2,4-difluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 106057064
N-(1-methoxypropan-2-yl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
CID 25037815
2-cyano-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 106545154
N-(1-methoxypropan-2-yl)thiophene-2-sulfonamide
CID 3781964
4-tert-butyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 42913111
2,6-difluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 3854345
3-amino-N-(1-methoxypropan-2-yl)-2-nitrobenzenesulfonamide
CID 112675246
2,5-dichloro-N-[(2S)-1-methoxypropan-2-yl]benzenesulfonamide
CID 670298
methyl (3R)-3-[(2-phenylphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate
CID 39983352

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-2-phenylbenzenesulfonamide?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-2-phenylbenzenesulfonamide (CID 39977591) is N-[(2S)-1-methoxypropan-2-yl]-2-phenylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]-2-phenylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]-2-phenylbenzenesulfonamide is COC[C@H](C)NS(=O)(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]-2-phenylbenzenesulfonamide?
The InChIKey is WDUFRIKIXIQYCC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-13(12-20-2)17-21(18,19)16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,13,17H,12H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]-2-phenylbenzenesulfonamide?
N-[(2S)-1-methoxypropan-2-yl]-2-phenylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]-2-phenylbenzenesulfonamide is sourced from PubChem (CID 39977591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).