N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide

C15H17NO3S — CID 43508584

IUPACN-[4-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(C(C)O)cc2)c1
InChIInChI=1S/C15H17NO3S/c1-11-4-3-5-15(10-11)20(18,19)16-14-8-6-13(7-9-14)12(2)17/h3-10,12,16-17H,1-2H3
InChIKeyPYZGKJGRYPXTCR-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.85
Rot. Bonds4

About N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide

N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide (PubChem CID 43508584) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide
PubChem CID43508584
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-[4-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(C(C)O)cc2)c1
InChIInChI=1S/C15H17NO3S/c1-11-4-3-5-15(10-11)20(18,19)16-14-8-6-13(7-9-14)12(2)17/h3-10,12,16-17H,1-2H3
InChIKeyPYZGKJGRYPXTCR-UHFFFAOYSA-N
XLogP2.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-methylphenyl)sulfonylamino]benzenesulfonic acid
CID 21052319
3-(1-hydroxyethyl)-N-(4-iodophenyl)benzenesulfonamide
CID 43507196
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
N-[4-(4-hydroxyphenyl)phenyl]-3-methylbenzenesulfonamide
CID 53324532
3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112986000
4-(1-hydroxyethyl)-N-phenylbenzenesulfonamide
CID 43507245
3-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide
CID 113094332
N-[4-[4-(dimethylamino)anilino]phenyl]-3-methylbenzenesulfonamide
CID 112988717
N-(2-chloropropyl)-3-methylbenzenesulfonamide
CID 65033837
3-methyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 5017994
N-(2,4-dimethylphenyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 43507393
3-(1-hydroxyethyl)-N-thiophen-3-ylbenzenesulfonamide
CID 66354403

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide (CID 43508584) is N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc(C(C)O)cc2)c1.
What is the InChIKey of N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide?
The InChIKey is PYZGKJGRYPXTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-11-4-3-5-15(10-11)20(18,19)16-14-8-6-13(7-9-14)12(2)17/h3-10,12,16-17H,1-2H3.
What are the key properties of N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide?
N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 43508584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).