N-[4-(2-hydroxyethylsulfonyl)-2-methylphenyl]-1-(oxan-2-yl)methanesulfonamide

C15H23NO6S2 — CID 102563351

IUPACN-[4-(2-hydroxyethylsulfonyl)-2-methylphenyl]-1-(oxan-2-yl)methanesulfonamide
SMILESCc1cc(S(=O)(=O)CCO)ccc1NS(=O)(=O)CC1CCCCO1
InChIInChI=1S/C15H23NO6S2/c1-12-10-14(23(18,19)9-7-17)5-6-15(12)16-24(20,21)11-13-4-2-3-8-22-13/h5-6,10,13,16-17H,2-4,7-9,11H2,1H3
InChIKeyBCMQERCWCNLCSK-UHFFFAOYSA-N
MW377.48 g/mol
LogP1.07
Rot. Bonds7

About N-[4-(2-hydroxyethylsulfonyl)-2-methylphenyl]-1-(oxan-2-yl)methanesulfonamide

N-[4-(2-hydroxyethylsulfonyl)-2-methylphenyl]-1-(oxan-2-yl)methanesulfonamide (PubChem CID 102563351) has the molecular formula C15H23NO6S2 and a molecular weight of 377.48 g/mol. Its IUPAC name is N-[4-(2-hydroxyethylsulfonyl)-2-methylphenyl]-1-(oxan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethylsulfonyl)-2-methylphenyl]-1-(oxan-2-yl)methanesulfonamide
PubChem CID102563351
Molecular FormulaC15H23NO6S2
Molecular Weight377.48 g/mol
Exact Mass377.10
IUPAC NameN-[4-(2-hydroxyethylsulfonyl)-2-methylphenyl]-1-(oxan-2-yl)methanesulfonamide
SMILESCc1cc(S(=O)(=O)CCO)ccc1NS(=O)(=O)CC1CCCCO1
InChIInChI=1S/C15H23NO6S2/c1-12-10-14(23(18,19)9-7-17)5-6-15(12)16-24(20,21)11-13-4-2-3-8-22-13/h5-6,10,13,16-17H,2-4,7-9,11H2,1H3
InChIKeyBCMQERCWCNLCSK-UHFFFAOYSA-N
XLogP1.07
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,4-dimethylphenyl)sulfonylmethyl]oxane
CID 71979163
N-(2-hydroxy-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247039
N-(2-acetyl-4-hydroxyphenyl)-1-(oxan-2-yl)methanesulfonamide
CID 122142969
2-[(3-bromo-4-methylphenyl)sulfonylmethyl]oxane
CID 145425719
3-chloro-4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247341
N-(4-amino-2-chlorophenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246560
N-(5-cyano-2-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246993
4-chloro-3-(oxolan-2-ylmethylsulfonylamino)benzoic acid
CID 63246612
3-(oxan-2-ylmethylsulfonylamino)-4-propan-2-yloxybenzoic acid
CID 136513692
N-(2-chloro-4-iodophenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 113238115
N-[2-(bromomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 113271470
N-(4-amino-3-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246840

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethylsulfonyl)-2-methylphenyl]-1-(oxan-2-yl)methanesulfonamide?
The IUPAC name of N-[4-(2-hydroxyethylsulfonyl)-2-methylphenyl]-1-(oxan-2-yl)methanesulfonamide (CID 102563351) is N-[4-(2-hydroxyethylsulfonyl)-2-methylphenyl]-1-(oxan-2-yl)methanesulfonamide.
What is the SMILES notation for N-[4-(2-hydroxyethylsulfonyl)-2-methylphenyl]-1-(oxan-2-yl)methanesulfonamide?
The canonical SMILES for N-[4-(2-hydroxyethylsulfonyl)-2-methylphenyl]-1-(oxan-2-yl)methanesulfonamide is Cc1cc(S(=O)(=O)CCO)ccc1NS(=O)(=O)CC1CCCCO1.
What is the InChIKey of N-[4-(2-hydroxyethylsulfonyl)-2-methylphenyl]-1-(oxan-2-yl)methanesulfonamide?
The InChIKey is BCMQERCWCNLCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO6S2/c1-12-10-14(23(18,19)9-7-17)5-6-15(12)16-24(20,21)11-13-4-2-3-8-22-13/h5-6,10,13,16-17H,2-4,7-9,11H2,1H3.
What are the key properties of N-[4-(2-hydroxyethylsulfonyl)-2-methylphenyl]-1-(oxan-2-yl)methanesulfonamide?
N-[4-(2-hydroxyethylsulfonyl)-2-methylphenyl]-1-(oxan-2-yl)methanesulfonamide has a molecular weight of 377.48 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethylsulfonyl)-2-methylphenyl]-1-(oxan-2-yl)methanesulfonamide is sourced from PubChem (CID 102563351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).