N-(2-hydroxycyclohexyl)-3-(1-hydroxyethyl)-N-methylbenzenesulfonamide

C15H23NO4S — CID 102635778

IUPACN-(2-hydroxycyclohexyl)-3-(1-hydroxyethyl)-N-methylbenzenesulfonamide
SMILESCC(O)c1cccc(S(=O)(=O)N(C)C2CCCCC2O)c1
InChIInChI=1S/C15H23NO4S/c1-11(17)12-6-5-7-13(10-12)21(19,20)16(2)14-8-3-4-9-15(14)18/h5-7,10-11,14-15,17-18H,3-4,8-9H2,1-2H3
InChIKeyUIEISZZKXQFVIF-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.66
Rot. Bonds4

About N-(2-hydroxycyclohexyl)-3-(1-hydroxyethyl)-N-methylbenzenesulfonamide

N-(2-hydroxycyclohexyl)-3-(1-hydroxyethyl)-N-methylbenzenesulfonamide (PubChem CID 102635778) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-3-(1-hydroxyethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-3-(1-hydroxyethyl)-N-methylbenzenesulfonamide
PubChem CID102635778
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC NameN-(2-hydroxycyclohexyl)-3-(1-hydroxyethyl)-N-methylbenzenesulfonamide
SMILESCC(O)c1cccc(S(=O)(=O)N(C)C2CCCCC2O)c1
InChIInChI=1S/C15H23NO4S/c1-11(17)12-6-5-7-13(10-12)21(19,20)16(2)14-8-3-4-9-15(14)18/h5-7,10-11,14-15,17-18H,3-4,8-9H2,1-2H3
InChIKeyUIEISZZKXQFVIF-UHFFFAOYSA-N
XLogP1.66
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Hydroxyethyl)-1,1-dioxo-3,4-dihydro-1lambda6,2-benzothiazin-4-ol
CID 118738583
4-Chloro-N-(2-hydroxy-1-methyl-2-phenyl-ethyl)-N-methyl-benzenesulfonamide
CID 3864270
1-[4-(Hydroxymethyl)phenyl]sulfonylpiperidin-4-ol
CID 155923753
(4R)-2-(2-hydroxyethyl)-1,1-dioxo-3,4-dihydro-1lambda6,2-benzothiazin-4-ol
CID 169552786
(4S)-1,1-dioxo-2-propan-2-yl-3,4-dihydro-1lambda6,2-benzothiazin-4-ol
CID 169552792
N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-4-methyl-N-prop-2-ynylbenzenesulfonamide
CID 135004079
N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxy-4-methylpentan-2-yl]-4-methyl-N-prop-2-ynylbenzenesulfonamide
CID 135070158
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide
CID 3363192
N-(1-hydroxy-1-phenylpropan-2-yl)-N,4-dimethylbenzenesulfonamide
CID 3456923
Benzene, 1-(1-hydroxy-2-isopropylamino)ethyl-4-sulphamoyl-
CID 171384404
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,4-dimethylbenzenesulfonamide
CID 6545162
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 10902825

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-3-(1-hydroxyethyl)-N-methylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-3-(1-hydroxyethyl)-N-methylbenzenesulfonamide (CID 102635778) is N-(2-hydroxycyclohexyl)-3-(1-hydroxyethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-3-(1-hydroxyethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-3-(1-hydroxyethyl)-N-methylbenzenesulfonamide is CC(O)c1cccc(S(=O)(=O)N(C)C2CCCCC2O)c1.
What is the InChIKey of N-(2-hydroxycyclohexyl)-3-(1-hydroxyethyl)-N-methylbenzenesulfonamide?
The InChIKey is UIEISZZKXQFVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-11(17)12-6-5-7-13(10-12)21(19,20)16(2)14-8-3-4-9-15(14)18/h5-7,10-11,14-15,17-18H,3-4,8-9H2,1-2H3.
What are the key properties of N-(2-hydroxycyclohexyl)-3-(1-hydroxyethyl)-N-methylbenzenesulfonamide?
N-(2-hydroxycyclohexyl)-3-(1-hydroxyethyl)-N-methylbenzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-3-(1-hydroxyethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 102635778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).