N-(2-hydroxyethyl)-3-propanoyl-N-propylbenzenesulfonamide

C14H21NO4S — CID 61252203

IUPACN-(2-hydroxyethyl)-3-propanoyl-N-propylbenzenesulfonamide
SMILESCCCN(CCO)S(=O)(=O)c1cccc(C(=O)CC)c1
InChIInChI=1S/C14H21NO4S/c1-3-8-15(9-10-16)20(18,19)13-7-5-6-12(11-13)14(17)4-2/h5-7,11,16H,3-4,8-10H2,1-2H3
InChIKeyDUJKYJMKCODYHC-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.67
Rot. Bonds8

About N-(2-hydroxyethyl)-3-propanoyl-N-propylbenzenesulfonamide

N-(2-hydroxyethyl)-3-propanoyl-N-propylbenzenesulfonamide (PubChem CID 61252203) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-propanoyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-propanoyl-N-propylbenzenesulfonamide
PubChem CID61252203
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC NameN-(2-hydroxyethyl)-3-propanoyl-N-propylbenzenesulfonamide
SMILESCCCN(CCO)S(=O)(=O)c1cccc(C(=O)CC)c1
InChIInChI=1S/C14H21NO4S/c1-3-8-15(9-10-16)20(18,19)13-7-5-6-12(11-13)14(17)4-2/h5-7,11,16H,3-4,8-10H2,1-2H3
InChIKeyDUJKYJMKCODYHC-UHFFFAOYSA-N
XLogP1.67
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 3835270
N-methoxy-3-propanoyl-N-propylbenzenesulfonamide
CID 114277159
4-propanoyl-N,N-dipropylbenzenesulfonamide
CID 70641695
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-propanoylbenzenesulfonamide
CID 79379246
3-[2-(4-bromo-2-methylphenyl)acetyl]-N,N-dipropylbenzenesulfonamide
CID 162242000
1-[3-(2-hydroxyethylsulfonyl)phenyl]propan-1-one
CID 66838699
3-propanoylbenzenesulfonic acid
CID 148597255
5-[2-hydroxyethyl(propyl)sulfamoyl]-2-methylbenzoic acid
CID 60951704
3-(dipropylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 26914144
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-propanoylbenzenesulfonamide
CID 79376544
N-(1-aminopropan-2-yl)-N-methyl-3-propanoylbenzenesulfonamide
CID 119983014
N-ethyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879696

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-propanoyl-N-propylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-3-propanoyl-N-propylbenzenesulfonamide (CID 61252203) is N-(2-hydroxyethyl)-3-propanoyl-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-propanoyl-N-propylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-propanoyl-N-propylbenzenesulfonamide is CCCN(CCO)S(=O)(=O)c1cccc(C(=O)CC)c1.
What is the InChIKey of N-(2-hydroxyethyl)-3-propanoyl-N-propylbenzenesulfonamide?
The InChIKey is DUJKYJMKCODYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-3-8-15(9-10-16)20(18,19)13-7-5-6-12(11-13)14(17)4-2/h5-7,11,16H,3-4,8-10H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-3-propanoyl-N-propylbenzenesulfonamide?
N-(2-hydroxyethyl)-3-propanoyl-N-propylbenzenesulfonamide has a molecular weight of 299.39 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-propanoyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 61252203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).