4-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylbenzenesulfonamide

C16H18ClNO4S — CID 60520999

IUPAC4-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylbenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(Cl)cc2C)cc1CO
InChIInChI=1S/C16H18ClNO4S/c1-3-22-15-6-5-14(9-12(15)10-19)18-23(20,21)16-7-4-13(17)8-11(16)2/h4-9,18-19H,3,10H2,1-2H3
InChIKeyIXMKMARKDJTVPJ-UHFFFAOYSA-N
MW355.84 g/mol
LogP3.34
Rot. Bonds6

About 4-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylbenzenesulfonamide

4-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylbenzenesulfonamide (PubChem CID 60520999) has the molecular formula C16H18ClNO4S and a molecular weight of 355.84 g/mol. Its IUPAC name is 4-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylbenzenesulfonamide
PubChem CID60520999
Molecular FormulaC16H18ClNO4S
Molecular Weight355.84 g/mol
Exact Mass355.06
IUPAC Name4-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylbenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(Cl)cc2C)cc1CO
InChIInChI=1S/C16H18ClNO4S/c1-3-22-15-6-5-14(9-12(15)10-19)18-23(20,21)16-7-4-13(17)8-11(16)2/h4-9,18-19H,3,10H2,1-2H3
InChIKeyIXMKMARKDJTVPJ-UHFFFAOYSA-N
XLogP3.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,6-difluorobenzenesulfonamide
CID 60520911
2-(4-chlorophenyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]ethenesulfonamide
CID 75901404
5-chloro-2-ethoxy-N-(4-hydroxyphenyl)benzenesulfonamide
CID 138046171
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
4-[[4-ethoxy-3-(hydroxymethyl)phenyl]sulfamoyl]benzamide
CID 47059390
4-chloro-N-(3,5-dichlorophenyl)-2-methylbenzenesulfonamide
CID 123943887
2-ethoxy-N-[4-ethoxy-3-(hydroxymethyl)phenyl]ethanesulfonamide
CID 63246299
[2-ethoxy-5-(2-methylpropylsulfamoylamino)phenyl]methanol
CID 114815613
ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
CID 54903026
[5-[(3,5-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 60980596
5-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(2-methoxyethoxy)benzenesulfonamide
CID 154755060
N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 61015482

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylbenzenesulfonamide (CID 60520999) is 4-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylbenzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc(Cl)cc2C)cc1CO.
What is the InChIKey of 4-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylbenzenesulfonamide?
The InChIKey is IXMKMARKDJTVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO4S/c1-3-22-15-6-5-14(9-12(15)10-19)18-23(20,21)16-7-4-13(17)8-11(16)2/h4-9,18-19H,3,10H2,1-2H3.
What are the key properties of 4-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylbenzenesulfonamide?
4-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylbenzenesulfonamide has a molecular weight of 355.84 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 60520999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).