2-chloro-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]ethanesulfonamide

C12H18ClNO3S — CID 107651216

IUPAC2-chloro-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]ethanesulfonamide
SMILESCCN(C(C)c1cccc(O)c1)S(=O)(=O)CCCl
InChIInChI=1S/C12H18ClNO3S/c1-3-14(18(16,17)8-7-13)10(2)11-5-4-6-12(15)9-11/h4-6,9-10,15H,3,7-8H2,1-2H3
InChIKeyCRCVXGOFUHFSLA-UHFFFAOYSA-N
MW291.80 g/mol
LogP2.34
Rot. Bonds6

About 2-chloro-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]ethanesulfonamide

2-chloro-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]ethanesulfonamide (PubChem CID 107651216) has the molecular formula C12H18ClNO3S and a molecular weight of 291.80 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]ethanesulfonamide
PubChem CID107651216
Molecular FormulaC12H18ClNO3S
Molecular Weight291.80 g/mol
Exact Mass291.07
IUPAC Name2-chloro-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]ethanesulfonamide
SMILESCCN(C(C)c1cccc(O)c1)S(=O)(=O)CCCl
InChIInChI=1S/C12H18ClNO3S/c1-3-14(18(16,17)8-7-13)10(2)11-5-4-6-12(15)9-11/h4-6,9-10,15H,3,7-8H2,1-2H3
InChIKeyCRCVXGOFUHFSLA-UHFFFAOYSA-N
XLogP2.34
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[ethyl-[1-(3-hydroxyphenyl)ethyl]sulfamoyl]propanoic acid
CID 60950620
3-chloro-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-methylpropane-1-sulfonamide
CID 79585929
N-ethyl-N-[(1S)-1-(3-hydroxyphenyl)ethyl]pyridine-3-sulfonamide
CID 97099113
3-[(1R)-1-(dimethylamino)ethyl]phenol
CID 10313270
3-(1-hydroxyethyl)phenol;methanesulfonic acid
CID 174877430
(2S)-2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide
CID 61164790
N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxypropanamide
CID 112696419
3-[(1S,2S)-1-hydroxy-2-nitropropyl]phenol
CID 131629270
3-[(2S)-butan-2-yl]-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 94797724
3-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]phenol
CID 103734415
3-[1-(dimethylamino)propan-2-yl]phenol
CID 3029890
4-[ethyl-[1-(3-hydroxyphenyl)ethyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302133

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]ethanesulfonamide?
The IUPAC name of 2-chloro-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]ethanesulfonamide (CID 107651216) is 2-chloro-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-chloro-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]ethanesulfonamide is CCN(C(C)c1cccc(O)c1)S(=O)(=O)CCCl.
What is the InChIKey of 2-chloro-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]ethanesulfonamide?
The InChIKey is CRCVXGOFUHFSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3S/c1-3-14(18(16,17)8-7-13)10(2)11-5-4-6-12(15)9-11/h4-6,9-10,15H,3,7-8H2,1-2H3.
What are the key properties of 2-chloro-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]ethanesulfonamide?
2-chloro-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]ethanesulfonamide has a molecular weight of 291.80 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 107651216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).