N-[4-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]methanesulfonamide

C16H20N2O3S — CID 71973102

IUPACN-[4-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CN(CCO)c2ccccc2)cc1
InChIInChI=1S/C16H20N2O3S/c1-22(20,21)17-15-9-7-14(8-10-15)13-18(11-12-19)16-5-3-2-4-6-16/h2-10,17,19H,11-13H2,1H3
InChIKeyZWVSXNRDILAGGU-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.06
Rot. Bonds7

About N-[4-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]methanesulfonamide

N-[4-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]methanesulfonamide (PubChem CID 71973102) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[4-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]methanesulfonamide
PubChem CID71973102
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-[4-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CN(CCO)c2ccccc2)cc1
InChIInChI=1S/C16H20N2O3S/c1-22(20,21)17-15-9-7-14(8-10-15)13-18(11-12-19)16-5-3-2-4-6-16/h2-10,17,19H,11-13H2,1H3
InChIKeyZWVSXNRDILAGGU-UHFFFAOYSA-N
XLogP2.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(N-phenylanilino)phenyl]methanesulfonamide
CID 20654643
N-hydroxy-3-[4-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]propanamide
CID 123262857
N-[3-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]acetamide
CID 71973103
N-[4-(3-hydroxypropyl)phenyl]methanesulfonamide
CID 67712691
acetic acid;2-[N-(2-hydroxyethyl)anilino]ethanol
CID 22412424
4-[[4-(methanesulfonamido)phenyl]methyl-methylsulfonylamino]benzoic acid
CID 150134093
N-[4-(diethylamino)phenyl]methanesulfonamide;hydrochloride
CID 45050507
2-[N-(2-hydroxyethyl)anilino]ethanol;hydrobromide
CID 21388011
2-[N-(pyrimidin-5-ylmethyl)anilino]ethanol
CID 99835017
N-benzyl-N-(2-hydroxyethyl)methanesulfonamide
CID 3329134
CID 23176875
CID 23176875
N-benzyl-N-cyclopropyl-4-(methanesulfonamido)benzamide
CID 38253884

Frequently Asked Questions

What is the IUPAC name of N-[4-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]methanesulfonamide (CID 71973102) is N-[4-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(CN(CCO)c2ccccc2)cc1.
What is the InChIKey of N-[4-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]methanesulfonamide?
The InChIKey is ZWVSXNRDILAGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-22(20,21)17-15-9-7-14(8-10-15)13-18(11-12-19)16-5-3-2-4-6-16/h2-10,17,19H,11-13H2,1H3.
What are the key properties of N-[4-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]methanesulfonamide?
N-[4-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]methanesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 71973102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).