N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide

C14H23NO3S — CID 97083157

IUPACN-[(2S)-1-hydroxypropan-2-yl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)N(C)[C@@H](C)CO)cc1
InChIInChI=1S/C14H23NO3S/c1-11(2)9-13-5-7-14(8-6-13)19(17,18)15(4)12(3)10-16/h5-8,11-12,16H,9-10H2,1-4H3/t12-/m0/s1
InChIKeyYIYOJJHQUXHJCE-LBPRGKRZSA-N
MW285.41 g/mol
LogP1.89
Rot. Bonds6

About N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide

N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 97083157) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxypropan-2-yl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide
PubChem CID97083157
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-[(2S)-1-hydroxypropan-2-yl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)N(C)[C@@H](C)CO)cc1
InChIInChI=1S/C14H23NO3S/c1-11(2)9-13-5-7-14(8-6-13)19(17,18)15(4)12(3)10-16/h5-8,11-12,16H,9-10H2,1-4H3/t12-/m0/s1
InChIKeyYIYOJJHQUXHJCE-LBPRGKRZSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypropan-2-yl)-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 104552576
N,N-dimethyl-4-(2-methylpropyl)benzenesulfonamide
CID 14574391
N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 55060733
3-amino-4-hydroxy-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide
CID 104550970
3-[4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]phenoxy]propanoic acid
CID 104551520
N-cyclopentyl-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 112820136
4-but-2-ynoxy-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide
CID 18357026
N-[(2R)-1-hydroxypropan-2-yl]-N-methyl-4-pentylperoxybenzenesulfonamide
CID 87974894
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 43598434
N-[(2S)-1-hydroxybutan-2-yl]-4-(2-methylpropyl)benzenesulfonamide
CID 104981895
4-amino-N-(1-hydroxypropan-2-yl)-3-methoxy-N-methylbenzenesulfonamide
CID 104551002
N,4-dimethyl-N-[(2S)-4-oxopentan-2-yl]benzenesulfonamide
CID 11391555

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide (CID 97083157) is N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide is CC(C)Cc1ccc(S(=O)(=O)N(C)[C@@H](C)CO)cc1.
What is the InChIKey of N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is YIYOJJHQUXHJCE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-11(2)9-13-5-7-14(8-6-13)19(17,18)15(4)12(3)10-16/h5-8,11-12,16H,9-10H2,1-4H3/t12-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide?
N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 97083157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).