3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide

C14H13Cl2NO3S — CID 103825631

IUPAC3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H](CO)c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2NO3S/c15-12-7-6-11(8-13(12)16)21(19,20)17-14(9-18)10-4-2-1-3-5-10/h1-8,14,17-18H,9H2/t14-/m1/s1
InChIKeyKSNMDYJOMDURPP-CQSZACIVSA-N
MW346.24 g/mol
LogP3.01
Rot. Bonds5

About 3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide

3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide (PubChem CID 103825631) has the molecular formula C14H13Cl2NO3S and a molecular weight of 346.24 g/mol. Its IUPAC name is 3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
PubChem CID103825631
Molecular FormulaC14H13Cl2NO3S
Molecular Weight346.24 g/mol
Exact Mass345.00
IUPAC Name3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H](CO)c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2NO3S/c15-12-7-6-11(8-13(12)16)21(19,20)17-14(9-18)10-4-2-1-3-5-10/h1-8,14,17-18H,9H2/t14-/m1/s1
InChIKeyKSNMDYJOMDURPP-CQSZACIVSA-N
XLogP3.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide
CID 101191621
N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide
CID 3557197
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]pyrimidine-5-sulfonamide
CID 107862764
N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide
CID 4204448
2,5-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837069
3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 7038002
3-amino-4-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861953
N-(2-hydroxy-1-phenylethyl)-3,4-dimethoxybenzenesulfonamide
CID 5016211
4-amino-2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861980
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide
CID 103825688
4-bromo-3-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103825685
3,4-dichloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502121

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide (CID 103825631) is 3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide is O=S(=O)(N[C@H](CO)c1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide?
The InChIKey is KSNMDYJOMDURPP-CQSZACIVSA-N. The full InChI is InChI=1S/C14H13Cl2NO3S/c15-12-7-6-11(8-13(12)16)21(19,20)17-14(9-18)10-4-2-1-3-5-10/h1-8,14,17-18H,9H2/t14-/m1/s1.
What are the key properties of 3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide?
3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide has a molecular weight of 346.24 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 103825631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).