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

C15H15Cl2NO3S — CID 34959830

IUPAC3,4-dichloro-2-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
SMILESCOc1c(S(=O)(=O)N[C@@H](C)c2ccccc2)ccc(Cl)c1Cl
InChIInChI=1S/C15H15Cl2NO3S/c1-10(11-6-4-3-5-7-11)18-22(19,20)13-9-8-12(16)14(17)15(13)21-2/h3-10,18H,1-2H3/t10-/m0/s1
InChIKeyHNFVFOVBLHOHQM-JTQLQIEISA-N
MW360.26 g/mol
LogP4.04
Rot. Bonds5

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

3,4-dichloro-2-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide (PubChem CID 34959830) has the molecular formula C15H15Cl2NO3S and a molecular weight of 360.26 g/mol. Its IUPAC name is 3,4-dichloro-2-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-2-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
PubChem CID34959830
Molecular FormulaC15H15Cl2NO3S
Molecular Weight360.26 g/mol
Exact Mass359.01
IUPAC Name3,4-dichloro-2-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
SMILESCOc1c(S(=O)(=O)N[C@@H](C)c2ccccc2)ccc(Cl)c1Cl
InChIInChI=1S/C15H15Cl2NO3S/c1-10(11-6-4-3-5-7-11)18-22(19,20)13-9-8-12(16)14(17)15(13)21-2/h3-10,18H,1-2H3/t10-/m0/s1
InChIKeyHNFVFOVBLHOHQM-JTQLQIEISA-N
XLogP4.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(1-phenylethyl)naphthalene-1-sulfonamide
CID 91670103
4-chloro-2,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 991853
4-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 50876121
3-bromo-5-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 55544609
1-N,5-N-bis[(1S)-1-phenylethyl]naphthalene-1,5-disulfonamide
CID 1274088
4-methoxy-3,5-dimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 112822925
3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 7038002
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
5-amino-2-chloro-N-(1-phenylethyl)benzenesulfonamide
CID 43094138
4-bromo-N-(1-phenylethyl)naphthalene-1-sulfonamide
CID 91670104
4-bromo-N-[(1R)-1-phenylethyl]naphthalene-1-sulfonamide
CID 99798402
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-2-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide (CID 34959830) is 3,4-dichloro-2-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-2-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-2-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide is COc1c(S(=O)(=O)N[C@@H](C)c2ccccc2)ccc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-2-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide?
The InChIKey is HNFVFOVBLHOHQM-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15Cl2NO3S/c1-10(11-6-4-3-5-7-11)18-22(19,20)13-9-8-12(16)14(17)15(13)21-2/h3-10,18H,1-2H3/t10-/m0/s1.
What are the key properties of 3,4-dichloro-2-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide?
3,4-dichloro-2-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide has a molecular weight of 360.26 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 34959830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).