2,6-dichloro-N-(3-phenylmethoxyphenyl)benzenesulfonamide

C19H15Cl2NO3S — CID 122187088

IUPAC2,6-dichloro-N-(3-phenylmethoxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(OCc2ccccc2)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H15Cl2NO3S/c20-17-10-5-11-18(21)19(17)26(23,24)22-15-8-4-9-16(12-15)25-13-14-6-2-1-3-7-14/h1-12,22H,13H2
InChIKeyNJSJUCYNXWELJT-UHFFFAOYSA-N
MW408.31 g/mol
LogP5.37
Rot. Bonds6

About 2,6-dichloro-N-(3-phenylmethoxyphenyl)benzenesulfonamide

2,6-dichloro-N-(3-phenylmethoxyphenyl)benzenesulfonamide (PubChem CID 122187088) has the molecular formula C19H15Cl2NO3S and a molecular weight of 408.31 g/mol. Its IUPAC name is 2,6-dichloro-N-(3-phenylmethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-(3-phenylmethoxyphenyl)benzenesulfonamide
PubChem CID122187088
Molecular FormulaC19H15Cl2NO3S
Molecular Weight408.31 g/mol
Exact Mass407.01
IUPAC Name2,6-dichloro-N-(3-phenylmethoxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(OCc2ccccc2)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H15Cl2NO3S/c20-17-10-5-11-18(21)19(17)26(23,24)22-15-8-4-9-16(12-15)25-13-14-6-2-1-3-7-14/h1-12,22H,13H2
InChIKeyNJSJUCYNXWELJT-UHFFFAOYSA-N
XLogP5.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.31
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-phenylmethoxyphenyl)sulfamic acid
CID 10193116
2,5-dimethoxy-N-(3-phenylmethoxyphenyl)benzenesulfonamide
CID 3770079
2-chloro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 45369229
N-benzyl-3-phenylmethoxyaniline
CID 54801332
2,3-dichloro-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
CID 43069625
N-[3-(2-aminoethoxy)phenyl]-2-chlorobenzenesulfonamide
CID 63120987
N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide
CID 70194773
N-(3-phenylmethoxyphenyl)formamide
CID 87791021
(3-phenylmethoxyphenyl)hydrazine;hydrochloride
CID 12891839
4-[[3-(phenoxymethyl)phenyl]sulfamoyl]benzoic acid
CID 154858217
2-amino-5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]pyridine-3-sulfonamide
CID 166328062
5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylimidazole-4-sulfonamide
CID 134006766

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(3-phenylmethoxyphenyl)benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-(3-phenylmethoxyphenyl)benzenesulfonamide (CID 122187088) is 2,6-dichloro-N-(3-phenylmethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-(3-phenylmethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-(3-phenylmethoxyphenyl)benzenesulfonamide is O=S(=O)(Nc1cccc(OCc2ccccc2)c1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(3-phenylmethoxyphenyl)benzenesulfonamide?
The InChIKey is NJSJUCYNXWELJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO3S/c20-17-10-5-11-18(21)19(17)26(23,24)22-15-8-4-9-16(12-15)25-13-14-6-2-1-3-7-14/h1-12,22H,13H2.
What are the key properties of 2,6-dichloro-N-(3-phenylmethoxyphenyl)benzenesulfonamide?
2,6-dichloro-N-(3-phenylmethoxyphenyl)benzenesulfonamide has a molecular weight of 408.31 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(3-phenylmethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 122187088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).