4-(1-hydroxyethyl)-N-phenylbenzenesulfonamide

C14H15NO3S — CID 43507245

IUPAC4-(1-hydroxyethyl)-N-phenylbenzenesulfonamide
SMILESCC(O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C14H15NO3S/c1-11(16)12-7-9-14(10-8-12)19(17,18)15-13-5-3-2-4-6-13/h2-11,15-16H,1H3
InChIKeyVTBRRLHUTLWXFP-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.54
Rot. Bonds4

About 4-(1-hydroxyethyl)-N-phenylbenzenesulfonamide

4-(1-hydroxyethyl)-N-phenylbenzenesulfonamide (PubChem CID 43507245) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-N-phenylbenzenesulfonamide
PubChem CID43507245
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name4-(1-hydroxyethyl)-N-phenylbenzenesulfonamide
SMILESCC(O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C14H15NO3S/c1-11(16)12-7-9-14(10-8-12)19(17,18)15-13-5-3-2-4-6-13/h2-11,15-16H,1H3
InChIKeyVTBRRLHUTLWXFP-UHFFFAOYSA-N
XLogP2.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide
CID 43508584
propan-2-yl 4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]benzoate
CID 71898733
4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-[2-hydroxy-1-(4-phenylphenyl)ethyl]benzamide
CID 167853547
(2S)-2-[4-(benzenesulfonamido)phenyl]propanamide
CID 23653372
4-(1-hydroxyethyl)-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 79240556
2-ethoxy-2-[4-(phenylsulfamoyl)phenyl]acetic acid
CID 71294674
4-chloro-N-phenylbenzenesulfonamide;ethane
CID 91229233
4-ethylsulfonyl-N-phenylbenzenesulfonamide
CID 87026098
4-(1-hydroxyethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]ethynyl]phenyl]benzenesulfonamide
CID 143133265
4-(phenylsulfamoyl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 2446305
4-(phenylsulfamoyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 2446308

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-N-phenylbenzenesulfonamide?
The IUPAC name of 4-(1-hydroxyethyl)-N-phenylbenzenesulfonamide (CID 43507245) is 4-(1-hydroxyethyl)-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-(1-hydroxyethyl)-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-(1-hydroxyethyl)-N-phenylbenzenesulfonamide is CC(O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-(1-hydroxyethyl)-N-phenylbenzenesulfonamide?
The InChIKey is VTBRRLHUTLWXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-11(16)12-7-9-14(10-8-12)19(17,18)15-13-5-3-2-4-6-13/h2-11,15-16H,1H3.
What are the key properties of 4-(1-hydroxyethyl)-N-phenylbenzenesulfonamide?
4-(1-hydroxyethyl)-N-phenylbenzenesulfonamide has a molecular weight of 277.35 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-N-phenylbenzenesulfonamide is sourced from PubChem (CID 43507245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).