3-(2-hydroxyethylamino)-4-methoxy-N-phenylbenzenesulfonamide

C15H18N2O4S — CID 70612965

IUPAC3-(2-hydroxyethylamino)-4-methoxy-N-phenylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2)cc1NCCO
InChIInChI=1S/C15H18N2O4S/c1-21-15-8-7-13(11-14(15)16-9-10-18)22(19,20)17-12-5-3-2-4-6-12/h2-8,11,16-18H,9-10H2,1H3
InChIKeyINEDVPNJKXZKCG-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.90
Rot. Bonds7

About 3-(2-hydroxyethylamino)-4-methoxy-N-phenylbenzenesulfonamide

3-(2-hydroxyethylamino)-4-methoxy-N-phenylbenzenesulfonamide (PubChem CID 70612965) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is 3-(2-hydroxyethylamino)-4-methoxy-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3-(2-hydroxyethylamino)-4-methoxy-N-phenylbenzenesulfonamide
PubChem CID70612965
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name3-(2-hydroxyethylamino)-4-methoxy-N-phenylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2)cc1NCCO
InChIInChI=1S/C15H18N2O4S/c1-21-15-8-7-13(11-14(15)16-9-10-18)22(19,20)17-12-5-3-2-4-6-12/h2-8,11,16-18H,9-10H2,1H3
InChIKeyINEDVPNJKXZKCG-UHFFFAOYSA-N
XLogP1.90
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonamido)-N-(4-bromophenyl)-4-methoxybenzenesulfonamide
CID 26982440
N-(4-chlorophenyl)-3-(2-cyanoethylamino)-4-methoxybenzenesulfonamide
CID 70614010
4-methoxy-3-methyl-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 75493365
4-[(2-methoxyphenyl)methylamino]-3-nitro-N-phenylbenzenesulfonamide
CID 4546481
3-chloro-N-[2-methoxy-5-(phenylsulfamoyl)phenyl]benzamide
CID 4646574
4-[2-(4-methoxyphenyl)ethylamino]-3-nitro-N-phenylbenzenesulfonamide
CID 3953859
4-(2-methoxyethylamino)-3-nitro-N-phenylbenzenesulfonamide
CID 9186192
4-methoxy-3-[[4-(phenylsulfamoyl)benzoyl]amino]benzamide
CID 55963635
N-[2-methoxy-5-[(4-sulfamoylphenyl)sulfamoyl]phenyl]acetamide
CID 26951375
N-(3-acetamido-4-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 24666755
N-[5-[(3-fluorophenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 6460904
3-iodo-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 1289218

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethylamino)-4-methoxy-N-phenylbenzenesulfonamide?
The IUPAC name of 3-(2-hydroxyethylamino)-4-methoxy-N-phenylbenzenesulfonamide (CID 70612965) is 3-(2-hydroxyethylamino)-4-methoxy-N-phenylbenzenesulfonamide.
What is the SMILES notation for 3-(2-hydroxyethylamino)-4-methoxy-N-phenylbenzenesulfonamide?
The canonical SMILES for 3-(2-hydroxyethylamino)-4-methoxy-N-phenylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2)cc1NCCO.
What is the InChIKey of 3-(2-hydroxyethylamino)-4-methoxy-N-phenylbenzenesulfonamide?
The InChIKey is INEDVPNJKXZKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-21-15-8-7-13(11-14(15)16-9-10-18)22(19,20)17-12-5-3-2-4-6-12/h2-8,11,16-18H,9-10H2,1H3.
What are the key properties of 3-(2-hydroxyethylamino)-4-methoxy-N-phenylbenzenesulfonamide?
3-(2-hydroxyethylamino)-4-methoxy-N-phenylbenzenesulfonamide has a molecular weight of 322.39 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethylamino)-4-methoxy-N-phenylbenzenesulfonamide is sourced from PubChem (CID 70612965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).