N-(oxolan-2-ylmethyl)-N-phenylbenzenesulfonamide

C17H19NO3S — CID 110753053

IUPACN-(oxolan-2-ylmethyl)-N-phenylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CC1CCCO1)c1ccccc1
InChIInChI=1S/C17H19NO3S/c19-22(20,17-11-5-2-6-12-17)18(14-16-10-7-13-21-16)15-8-3-1-4-9-15/h1-6,8-9,11-12,16H,7,10,13-14H2
InChIKeyFQFFCZKBAVQPSN-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.06
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-N-phenylbenzenesulfonamide

N-(oxolan-2-ylmethyl)-N-phenylbenzenesulfonamide (PubChem CID 110753053) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N-phenylbenzenesulfonamide
PubChem CID110753053
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-(oxolan-2-ylmethyl)-N-phenylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CC1CCCO1)c1ccccc1
InChIInChI=1S/C17H19NO3S/c19-22(20,17-11-5-2-6-12-17)18(14-16-10-7-13-21-16)15-8-3-1-4-9-15/h1-6,8-9,11-12,16H,7,10,13-14H2
InChIKeyFQFFCZKBAVQPSN-UHFFFAOYSA-N
XLogP3.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-phenyl-1H-pyrazole-4-sulfonamide
CID 110753063
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1303995
3-(N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 112760521
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1134632
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(oxolan-2-ylmethyl)acetamide
CID 2896469
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1138641
3-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791453
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1107734
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1143030
4-[benzenesulfonyl(methyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1118210
N-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide
CID 71490904
N-(4-methoxyphenyl)-2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 8003484

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-N-phenylbenzenesulfonamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-N-phenylbenzenesulfonamide (CID 110753053) is N-(oxolan-2-ylmethyl)-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N-phenylbenzenesulfonamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N-phenylbenzenesulfonamide is O=S(=O)(c1ccccc1)N(CC1CCCO1)c1ccccc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N-phenylbenzenesulfonamide?
The InChIKey is FQFFCZKBAVQPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c19-22(20,17-11-5-2-6-12-17)18(14-16-10-7-13-21-16)15-8-3-1-4-9-15/h1-6,8-9,11-12,16H,7,10,13-14H2.
What are the key properties of N-(oxolan-2-ylmethyl)-N-phenylbenzenesulfonamide?
N-(oxolan-2-ylmethyl)-N-phenylbenzenesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N-phenylbenzenesulfonamide is sourced from PubChem (CID 110753053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).