N-[(2S)-2-hydroxypropyl]-N-propylbenzenesulfonamide

C12H19NO3S — CID 59164206

IUPACN-[(2S)-2-hydroxypropyl]-N-propylbenzenesulfonamide
SMILESCCCN(C[C@H](C)O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H19NO3S/c1-3-9-13(10-11(2)14)17(15,16)12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3/t11-/m0/s1
InChIKeyCJMKUKBXMGHNOE-NSHDSACASA-N
MW257.36 g/mol
LogP1.47
Rot. Bonds6

About N-[(2S)-2-hydroxypropyl]-N-propylbenzenesulfonamide

N-[(2S)-2-hydroxypropyl]-N-propylbenzenesulfonamide (PubChem CID 59164206) has the molecular formula C12H19NO3S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-N-propylbenzenesulfonamide
PubChem CID59164206
Molecular FormulaC12H19NO3S
Molecular Weight257.36 g/mol
Exact Mass257.11
IUPAC NameN-[(2S)-2-hydroxypropyl]-N-propylbenzenesulfonamide
SMILESCCCN(C[C@H](C)O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H19NO3S/c1-3-9-13(10-11(2)14)17(15,16)12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3/t11-/m0/s1
InChIKeyCJMKUKBXMGHNOE-NSHDSACASA-N
XLogP1.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dipropylbenzenesulfonamide
CID 4053954
N,N-dipropylbenzenesulfonamide;dihydrochloride
CID 142038428
2-methyl-3-[(4-methylphenyl)sulfonyl-propylamino]propanoic acid
CID 82326517
3-chloro-N-(2-hydroxypropyl)-N-propyl-1-benzothiophene-2-sulfonamide
CID 141094629
3-[benzenesulfonyl(3-hydroxypropyl)amino]-2-methylpropanoic acid
CID 82326496
2-[benzenesulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 76927437
4-chloro-N-(2-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 11523464
N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 60763176
benzyl N-[(2S,3R)-4-[benzenesulfonyl(propyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 10300405
3-[benzenesulfonyl(2-methylpropyl)amino]propylcarbamic acid
CID 142959686
4-(benzenesulfonamido)-N,N-dipropylbenzenesulfonamide
CID 1213371
3-[benzenesulfonyl-[2-[benzenesulfonyl(2-carboxyethyl)amino]ethyl]amino]propanoic acid
CID 21496766

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-N-propylbenzenesulfonamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-N-propylbenzenesulfonamide (CID 59164206) is N-[(2S)-2-hydroxypropyl]-N-propylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-N-propylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-N-propylbenzenesulfonamide is CCCN(C[C@H](C)O)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-N-propylbenzenesulfonamide?
The InChIKey is CJMKUKBXMGHNOE-NSHDSACASA-N. The full InChI is InChI=1S/C12H19NO3S/c1-3-9-13(10-11(2)14)17(15,16)12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3/t11-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-N-propylbenzenesulfonamide?
N-[(2S)-2-hydroxypropyl]-N-propylbenzenesulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-N-propylbenzenesulfonamide is sourced from PubChem (CID 59164206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).