N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-3-sulfonamide

C11H18N2O3S — CID 102739268

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-3-sulfonamide
SMILESCn1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2O)c1
InChIInChI=1S/C11H18N2O3S/c1-13-7-6-9(8-13)17(15,16)12-10-4-2-3-5-11(10)14/h6-8,10-12,14H,2-5H2,1H3/t10-,11-/m1/s1
InChIKeyQLGMWKGYCBMTLE-GHMZBOCLSA-N
MW258.34 g/mol
LogP0.61
Rot. Bonds3

About N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-3-sulfonamide

N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-3-sulfonamide (PubChem CID 102739268) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-3-sulfonamide
PubChem CID102739268
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-3-sulfonamide
SMILESCn1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2O)c1
InChIInChI=1S/C11H18N2O3S/c1-13-7-6-9(8-13)17(15,16)12-10-4-2-3-5-11(10)14/h6-8,10-12,14H,2-5H2,1H3/t10-,11-/m1/s1
InChIKeyQLGMWKGYCBMTLE-GHMZBOCLSA-N
XLogP0.61
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrrole-3-sulfonamide
CID 174886382
5-fluoro-1-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)pyrrole-3-sulfonamide
CID 174886755
N-(3,3-difluoro-2-hydroxypropyl)-1-methylpyrrole-3-sulfonamide
CID 105649326
1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrole-3-sulfonamide
CID 114094039
N-(3-hydroxycyclobutyl)-1-methylpyrrole-3-sulfonamide
CID 65972712
3-Hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid
CID 43294290
2-[(1-Methylpyrrol-3-yl)sulfonylamino]hexanoic acid
CID 43470087
N-(3-hydroxypropyl)-1-methylpyrrole-3-sulfonamide
CID 43501437
N-(1-hydroxybutan-2-yl)-1-methylpyrrole-3-sulfonamide
CID 43501600
N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-sulfonamide
CID 43501601
N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide
CID 43501788
N-(2-hydroxyethyl)-1-methylpyrrole-3-sulfonamide
CID 43501954

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-3-sulfonamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-3-sulfonamide (CID 102739268) is N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-3-sulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-3-sulfonamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-3-sulfonamide is Cn1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2O)c1.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-3-sulfonamide?
The InChIKey is QLGMWKGYCBMTLE-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-13-7-6-9(8-13)17(15,16)12-10-4-2-3-5-11(10)14/h6-8,10-12,14H,2-5H2,1H3/t10-,11-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-3-sulfonamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-3-sulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-3-sulfonamide is sourced from PubChem (CID 102739268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).