N-[(3S,4S)-5-hydroxy-3,7-dimethyl-5-(2-methylpropyl)octan-4-yl]benzenesulfonamide

C20H35NO3S — CID 160670389

IUPACN-[(3S,4S)-5-hydroxy-3,7-dimethyl-5-(2-methylpropyl)octan-4-yl]benzenesulfonamide
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1ccccc1)C(O)(CC(C)C)CC(C)C
InChIInChI=1S/C20H35NO3S/c1-7-17(6)19(20(22,13-15(2)3)14-16(4)5)21-25(23,24)18-11-9-8-10-12-18/h8-12,15-17,19,21-22H,7,13-14H2,1-6H3/t17-,19-/m0/s1
InChIKeyRMVUZKXFXDSJNN-HKUYNNGSSA-N
MW369.57 g/mol
LogP4.20
Rot. Bonds10

About N-[(3S,4S)-5-hydroxy-3,7-dimethyl-5-(2-methylpropyl)octan-4-yl]benzenesulfonamide

N-[(3S,4S)-5-hydroxy-3,7-dimethyl-5-(2-methylpropyl)octan-4-yl]benzenesulfonamide (PubChem CID 160670389) has the molecular formula C20H35NO3S and a molecular weight of 369.57 g/mol. Its IUPAC name is N-[(3S,4S)-5-hydroxy-3,7-dimethyl-5-(2-methylpropyl)octan-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3S,4S)-5-hydroxy-3,7-dimethyl-5-(2-methylpropyl)octan-4-yl]benzenesulfonamide
PubChem CID160670389
Molecular FormulaC20H35NO3S
Molecular Weight369.57 g/mol
Exact Mass369.23
IUPAC NameN-[(3S,4S)-5-hydroxy-3,7-dimethyl-5-(2-methylpropyl)octan-4-yl]benzenesulfonamide
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1ccccc1)C(O)(CC(C)C)CC(C)C
InChIInChI=1S/C20H35NO3S/c1-7-17(6)19(20(22,13-15(2)3)14-16(4)5)21-25(23,24)18-11-9-8-10-12-18/h8-12,15-17,19,21-22H,7,13-14H2,1-6H3/t17-,19-/m0/s1
InChIKeyRMVUZKXFXDSJNN-HKUYNNGSSA-N
XLogP4.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.57
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3S,4S)-5-hydroxy-3,7-dimethyl-5-(2-methylpropyl)octan-4-yl]benzenesulfonamide with MolForge

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Related Compounds

3-chloro-N-[(4S,5S)-3-ethyl-3-hydroxy-5-methylheptan-4-yl]benzenesulfonamide
CID 68547034
4-fluoro-N-(2-hydroxy-2,4-dimethylhexan-3-yl)benzenesulfonamide
CID 21078753
4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1,1-dinaphthalen-1-ylpentan-2-yl]benzenesulfonamide
CID 68543203
prop-2-enyl (2S,3S)-2-(benzenesulfonamido)-3-methylpentanoate
CID 139807925
4-fluoro-N-[(4S,5S)-3-hydroxy-2,5-dimethyl-3-prop-1-en-2-ylhept-1-en-4-yl]benzenesulfonamide
CID 68544690
N-[(2S)-1-amino-3-methyl-1,1-diphenylpentan-2-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 177493441
N-[(2S,3S)-1-(4-chlorophenyl)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide
CID 154511661
N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide
CID 118863079
(2S)-2-(benzenesulfonamido)butanoate
CID 6944962
N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 47957316
ethyl (2R,3S)-2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoate
CID 7375482
ethyl (2S,3R)-2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoate
CID 7375481

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-5-hydroxy-3,7-dimethyl-5-(2-methylpropyl)octan-4-yl]benzenesulfonamide?
The IUPAC name of N-[(3S,4S)-5-hydroxy-3,7-dimethyl-5-(2-methylpropyl)octan-4-yl]benzenesulfonamide (CID 160670389) is N-[(3S,4S)-5-hydroxy-3,7-dimethyl-5-(2-methylpropyl)octan-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[(3S,4S)-5-hydroxy-3,7-dimethyl-5-(2-methylpropyl)octan-4-yl]benzenesulfonamide?
The canonical SMILES for N-[(3S,4S)-5-hydroxy-3,7-dimethyl-5-(2-methylpropyl)octan-4-yl]benzenesulfonamide is CC[C@H](C)[C@H](NS(=O)(=O)c1ccccc1)C(O)(CC(C)C)CC(C)C.
What is the InChIKey of N-[(3S,4S)-5-hydroxy-3,7-dimethyl-5-(2-methylpropyl)octan-4-yl]benzenesulfonamide?
The InChIKey is RMVUZKXFXDSJNN-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H35NO3S/c1-7-17(6)19(20(22,13-15(2)3)14-16(4)5)21-25(23,24)18-11-9-8-10-12-18/h8-12,15-17,19,21-22H,7,13-14H2,1-6H3/t17-,19-/m0/s1.
What are the key properties of N-[(3S,4S)-5-hydroxy-3,7-dimethyl-5-(2-methylpropyl)octan-4-yl]benzenesulfonamide?
N-[(3S,4S)-5-hydroxy-3,7-dimethyl-5-(2-methylpropyl)octan-4-yl]benzenesulfonamide has a molecular weight of 369.57 g/mol, XLogP of 4.20, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-5-hydroxy-3,7-dimethyl-5-(2-methylpropyl)octan-4-yl]benzenesulfonamide is sourced from PubChem (CID 160670389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).