N-[3-(2-amino-1-hydroxyethyl)phenyl]-4-methylbenzenesulfonamide

C15H18N2O3S — CID 25046021

IUPACN-[3-(2-amino-1-hydroxyethyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(O)CN)c2)cc1
InChIInChI=1S/C15H18N2O3S/c1-11-5-7-14(8-6-11)21(19,20)17-13-4-2-3-12(9-13)15(18)10-16/h2-9,15,17-18H,10,16H2,1H3
InChIKeyRVPFAPZFCSILQY-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.79
Rot. Bonds5

About N-[3-(2-amino-1-hydroxyethyl)phenyl]-4-methylbenzenesulfonamide

N-[3-(2-amino-1-hydroxyethyl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 25046021) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[3-(2-amino-1-hydroxyethyl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2-amino-1-hydroxyethyl)phenyl]-4-methylbenzenesulfonamide
PubChem CID25046021
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[3-(2-amino-1-hydroxyethyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(O)CN)c2)cc1
InChIInChI=1S/C15H18N2O3S/c1-11-5-7-14(8-6-11)21(19,20)17-13-4-2-3-12(9-13)15(18)10-16/h2-9,15,17-18H,10,16H2,1H3
InChIKeyRVPFAPZFCSILQY-UHFFFAOYSA-N
XLogP1.79
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1-hydroxypropyl)phenyl]benzenesulfonamide
CID 174636480
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
3-[(4-methylphenyl)sulfonylamino]benzenecarbothioamide
CID 29047104
4-methyl-N-(3-propan-2-ylsulfonylphenyl)benzenesulfonamide
CID 169372431
4-fluoro-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 26968411
2-amino-1-[3-(4-methylphenyl)phenyl]ethanol
CID 82287999
N-[3-(ethylaminomethyl)phenyl]-4-methylbenzenesulfonamide
CID 43606244
2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-[(4-methylphenyl)sulfonylamino]phenyl]acetic acid
CID 67617596
N-(3-benzylphenyl)-4-methylbenzenesulfonamide
CID 3765217
4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 16643195
N-[3-[2-hydroxy-1-(methylamino)ethyl]phenyl]-4-phenylbenzenesulfonamide
CID 67358765
N-[(R)-(4-methylphenyl)-phenylmethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 28576591

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1-hydroxyethyl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-(2-amino-1-hydroxyethyl)phenyl]-4-methylbenzenesulfonamide (CID 25046021) is N-[3-(2-amino-1-hydroxyethyl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(2-amino-1-hydroxyethyl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(2-amino-1-hydroxyethyl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(O)CN)c2)cc1.
What is the InChIKey of N-[3-(2-amino-1-hydroxyethyl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is RVPFAPZFCSILQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11-5-7-14(8-6-11)21(19,20)17-13-4-2-3-12(9-13)15(18)10-16/h2-9,15,17-18H,10,16H2,1H3.
What are the key properties of N-[3-(2-amino-1-hydroxyethyl)phenyl]-4-methylbenzenesulfonamide?
N-[3-(2-amino-1-hydroxyethyl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1-hydroxyethyl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 25046021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).