4-chloro-N-(2-hydroxy-3-phenoxypropyl)benzenesulfonamide

C15H16ClNO4S — CID 166232814

IUPAC4-chloro-N-(2-hydroxy-3-phenoxypropyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)COc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO4S/c16-12-6-8-15(9-7-12)22(19,20)17-10-13(18)11-21-14-4-2-1-3-5-14/h1-9,13,17-18H,10-11H2
InChIKeyPVKDNWBMRHRLDT-UHFFFAOYSA-N
MW341.82 g/mol
LogP2.06
Rot. Bonds7

About 4-chloro-N-(2-hydroxy-3-phenoxypropyl)benzenesulfonamide

4-chloro-N-(2-hydroxy-3-phenoxypropyl)benzenesulfonamide (PubChem CID 166232814) has the molecular formula C15H16ClNO4S and a molecular weight of 341.82 g/mol. Its IUPAC name is 4-chloro-N-(2-hydroxy-3-phenoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-hydroxy-3-phenoxypropyl)benzenesulfonamide
PubChem CID166232814
Molecular FormulaC15H16ClNO4S
Molecular Weight341.82 g/mol
Exact Mass341.05
IUPAC Name4-chloro-N-(2-hydroxy-3-phenoxypropyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)COc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO4S/c16-12-6-8-15(9-7-12)22(19,20)17-10-13(18)11-21-14-4-2-1-3-5-14/h1-9,13,17-18H,10-11H2
InChIKeyPVKDNWBMRHRLDT-UHFFFAOYSA-N
XLogP2.06
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide
CID 6930429
N-[(2R)-2-hydroxy-3-[4-(methylamino)phenoxy]propyl]-4-methylbenzenesulfonamide
CID 41476250
4-bromo-N-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]benzenesulfonamide
CID 1300823
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
[3-(4-chlorophenoxy)-2-hydroxypropyl]urea
CID 14685227
(2R)-1-[2-[(R)-(4-chlorophenyl)sulfinyl]ethylamino]-3-phenoxypropan-2-ol
CID 129396483
1-[2-(4-chlorophenoxy)ethylamino]-3-(4-methylsulfonylphenoxy)propan-2-ol
CID 22766037
1-(iodoamino)-3-phenoxypropan-2-ol
CID 89357647
1-(2-bromo-4-chloroanilino)-3-phenoxypropan-2-ol
CID 81270786
(2S)-2-hydroxy-3-[[4-(2-methylpropoxy)phenyl]sulfonylamino]propanoic acid
CID 104935849
4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 7067570
2-hydroxy-3-phenoxypropane-1-sulfonic acid
CID 10149155

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-hydroxy-3-phenoxypropyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-hydroxy-3-phenoxypropyl)benzenesulfonamide (CID 166232814) is 4-chloro-N-(2-hydroxy-3-phenoxypropyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-hydroxy-3-phenoxypropyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-hydroxy-3-phenoxypropyl)benzenesulfonamide is O=S(=O)(NCC(O)COc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-hydroxy-3-phenoxypropyl)benzenesulfonamide?
The InChIKey is PVKDNWBMRHRLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO4S/c16-12-6-8-15(9-7-12)22(19,20)17-10-13(18)11-21-14-4-2-1-3-5-14/h1-9,13,17-18H,10-11H2.
What are the key properties of 4-chloro-N-(2-hydroxy-3-phenoxypropyl)benzenesulfonamide?
4-chloro-N-(2-hydroxy-3-phenoxypropyl)benzenesulfonamide has a molecular weight of 341.82 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-hydroxy-3-phenoxypropyl)benzenesulfonamide is sourced from PubChem (CID 166232814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).