N-(2-hydroxy-1-phenylethyl)-1-methylpyrrole-3-sulfonamide

C13H16N2O3S — CID 63182937

IUPACN-(2-hydroxy-1-phenylethyl)-1-methylpyrrole-3-sulfonamide
SMILESCn1ccc(S(=O)(=O)NC(CO)c2ccccc2)c1
InChIInChI=1S/C13H16N2O3S/c1-15-8-7-12(9-15)19(17,18)14-13(10-16)11-5-3-2-4-6-11/h2-9,13-14,16H,10H2,1H3
InChIKeyKLVFYVSMGMGRAT-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.04
Rot. Bonds5

About N-(2-hydroxy-1-phenylethyl)-1-methylpyrrole-3-sulfonamide

N-(2-hydroxy-1-phenylethyl)-1-methylpyrrole-3-sulfonamide (PubChem CID 63182937) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-1-methylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-1-methylpyrrole-3-sulfonamide
PubChem CID63182937
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-(2-hydroxy-1-phenylethyl)-1-methylpyrrole-3-sulfonamide
SMILESCn1ccc(S(=O)(=O)NC(CO)c2ccccc2)c1
InChIInChI=1S/C13H16N2O3S/c1-15-8-7-12(9-15)19(17,18)14-13(10-16)11-5-3-2-4-6-11/h2-9,13-14,16H,10H2,1H3
InChIKeyKLVFYVSMGMGRAT-UHFFFAOYSA-N
XLogP1.04
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide
CID 101191621
N-(2-hydroxy-1-phenylethyl)-3,4-dimethoxybenzenesulfonamide
CID 5016211
N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide
CID 4204448
N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide
CID 3557197
1-methyl-N-[2-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]pyrrole-3-sulfonamide
CID 170430990
3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103825631
N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzenesulfonamide
CID 107863541
N-(2-hydroxy-1-phenylethyl)-3-methoxybenzenesulfonamide
CID 81265322
(2R)-4-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid
CID 107824095
3-(dimethylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylbenzenesulfonamide
CID 71911398
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]pyrimidine-5-sulfonamide
CID 107862764
4-bromo-3-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103825685

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-1-methylpyrrole-3-sulfonamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-1-methylpyrrole-3-sulfonamide (CID 63182937) is N-(2-hydroxy-1-phenylethyl)-1-methylpyrrole-3-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-1-methylpyrrole-3-sulfonamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-1-methylpyrrole-3-sulfonamide is Cn1ccc(S(=O)(=O)NC(CO)c2ccccc2)c1.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-1-methylpyrrole-3-sulfonamide?
The InChIKey is KLVFYVSMGMGRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-15-8-7-12(9-15)19(17,18)14-13(10-16)11-5-3-2-4-6-11/h2-9,13-14,16H,10H2,1H3.
What are the key properties of N-(2-hydroxy-1-phenylethyl)-1-methylpyrrole-3-sulfonamide?
N-(2-hydroxy-1-phenylethyl)-1-methylpyrrole-3-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-1-methylpyrrole-3-sulfonamide is sourced from PubChem (CID 63182937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).