N-[(2R)-5-methylhexan-2-yl]naphthalene-2-sulfonamide

C17H23NO2S — CID 31481331

IUPACN-[(2R)-5-methylhexan-2-yl]naphthalene-2-sulfonamide
SMILESCC(C)CC[C@@H](C)NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H23NO2S/c1-13(2)8-9-14(3)18-21(19,20)17-11-10-15-6-4-5-7-16(15)12-17/h4-7,10-14,18H,8-9H2,1-3H3/t14-/m1/s1
InChIKeyGMMSBXVJTWWSJA-CQSZACIVSA-N
MW305.44 g/mol
LogP3.94
Rot. Bonds6

About N-[(2R)-5-methylhexan-2-yl]naphthalene-2-sulfonamide

N-[(2R)-5-methylhexan-2-yl]naphthalene-2-sulfonamide (PubChem CID 31481331) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-[(2R)-5-methylhexan-2-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-5-methylhexan-2-yl]naphthalene-2-sulfonamide
PubChem CID31481331
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC NameN-[(2R)-5-methylhexan-2-yl]naphthalene-2-sulfonamide
SMILESCC(C)CC[C@@H](C)NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H23NO2S/c1-13(2)8-9-14(3)18-21(19,20)17-11-10-15-6-4-5-7-16(15)12-17/h4-7,10-14,18H,8-9H2,1-3H3/t14-/m1/s1
InChIKeyGMMSBXVJTWWSJA-CQSZACIVSA-N
XLogP3.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-[[(2R)-butan-2-yl]amino]propan-2-yl]naphthalene-2-sulfonamide
CID 163796605
N-[(2R)-1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfonamide
CID 124886214
3-(5-methylhexan-2-ylsulfamoyl)benzenesulfonyl chloride
CID 63926914
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]naphthalene-2-sulfonamide
CID 79255723
4-(5-methylhexan-2-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958176
N-(5-methylhexan-2-yl)naphthalene-1-sulfonamide
CID 114795789
3-cyano-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 42999377
4-amino-3-chloro-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 115330116
3-(aminomethyl)-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 43579029
N-[1-(4-ethylphenyl)ethyl]naphthalene-2-sulfonamide
CID 22200980
N-(2-hydroxypropyl)naphthalene-2-sulfonamide
CID 43394412
2-(naphthalen-2-ylsulfonylamino)butanoate
CID 4110803

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5-methylhexan-2-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[(2R)-5-methylhexan-2-yl]naphthalene-2-sulfonamide (CID 31481331) is N-[(2R)-5-methylhexan-2-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[(2R)-5-methylhexan-2-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[(2R)-5-methylhexan-2-yl]naphthalene-2-sulfonamide is CC(C)CC[C@@H](C)NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[(2R)-5-methylhexan-2-yl]naphthalene-2-sulfonamide?
The InChIKey is GMMSBXVJTWWSJA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-13(2)8-9-14(3)18-21(19,20)17-11-10-15-6-4-5-7-16(15)12-17/h4-7,10-14,18H,8-9H2,1-3H3/t14-/m1/s1.
What are the key properties of N-[(2R)-5-methylhexan-2-yl]naphthalene-2-sulfonamide?
N-[(2R)-5-methylhexan-2-yl]naphthalene-2-sulfonamide has a molecular weight of 305.44 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-5-methylhexan-2-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 31481331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).