N,N-bis(2-hydroxyethyl)-1-phenylmethanesulfonamide

C11H17NO4S — CID 19906422

IUPACN,N-bis(2-hydroxyethyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)N(CCO)CCO
InChIInChI=1S/C11H17NO4S/c13-8-6-12(7-9-14)17(15,16)10-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2
InChIKeySXKYANNECXFDFM-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.20
Rot. Bonds7

About N,N-bis(2-hydroxyethyl)-1-phenylmethanesulfonamide

N,N-bis(2-hydroxyethyl)-1-phenylmethanesulfonamide (PubChem CID 19906422) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-1-phenylmethanesulfonamide
PubChem CID19906422
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC NameN,N-bis(2-hydroxyethyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)N(CCO)CCO
InChIInChI=1S/C11H17NO4S/c13-8-6-12(7-9-14)17(15,16)10-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2
InChIKeySXKYANNECXFDFM-UHFFFAOYSA-N
XLogP-0.20
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Phenyl-ethenesulfonyl)-morpholine
CID 1144752
N-(2-Hydroxyethyl)-N-(3-hydroxypropyl)-p-toluenesulphonamide
CID 81421
4-(Benzylsulfonyl)-2,6-dimethylmorpholine
CID 2853675
N,N-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 81565
Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, 4-methylbenzenesulfonate (1:1)
CID 10923804
Ethanol, 2-(dimethylamino)-, 4-methylbenzenesulfonate (1:1)
CID 113103
Ethanol, 2,2',2''-nitrilotris-, 4-methylbenzenesulfonate (1:1)
CID 171134
4-[(2-Phenylethane)sulfonyl]morpholine
CID 869048
4-(3-Phenylpropylsulfonyl)morpholine
CID 560201
(Z)-4-(Styrylsulfonyl)morpholine
CID 2277397
2-Hydroxyethyl-[2-(3-iodophenyl)ethyl]-dimethylazanium;methanesulfonate
CID 171347133
N,N-diethyl-1-phenylmethanesulfonamide
CID 279679

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-1-phenylmethanesulfonamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-1-phenylmethanesulfonamide (CID 19906422) is N,N-bis(2-hydroxyethyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-1-phenylmethanesulfonamide?
The InChIKey is SXKYANNECXFDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c13-8-6-12(7-9-14)17(15,16)10-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2.
What are the key properties of N,N-bis(2-hydroxyethyl)-1-phenylmethanesulfonamide?
N,N-bis(2-hydroxyethyl)-1-phenylmethanesulfonamide has a molecular weight of 259.33 g/mol, XLogP of -0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 19906422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).