N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-3-methoxybenzenesulfonamide

C17H16ClNO4S — CID 143906940

IUPACN-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-3-methoxybenzenesulfonamide
SMILESC=Cc1c(NS(=O)(=O)c2cccc(OC)c2)cc(Cl)c(O)c1C=C
InChIInChI=1S/C17H16ClNO4S/c1-4-13-14(5-2)17(20)15(18)10-16(13)19-24(21,22)12-8-6-7-11(9-12)23-3/h4-10,19-20H,1-2H2,3H3
InChIKeyIOLWKOBZFOERTG-UHFFFAOYSA-N
MW365.84 g/mol
LogP4.14
Rot. Bonds6

About N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-3-methoxybenzenesulfonamide

N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-3-methoxybenzenesulfonamide (PubChem CID 143906940) has the molecular formula C17H16ClNO4S and a molecular weight of 365.84 g/mol. Its IUPAC name is N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-3-methoxybenzenesulfonamide
PubChem CID143906940
Molecular FormulaC17H16ClNO4S
Molecular Weight365.84 g/mol
Exact Mass365.05
IUPAC NameN-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-3-methoxybenzenesulfonamide
SMILESC=Cc1c(NS(=O)(=O)c2cccc(OC)c2)cc(Cl)c(O)c1C=C
InChIInChI=1S/C17H16ClNO4S/c1-4-13-14(5-2)17(20)15(18)10-16(13)19-24(21,22)12-8-6-7-11(9-12)23-3/h4-10,19-20H,1-2H2,3H3
InChIKeyIOLWKOBZFOERTG-UHFFFAOYSA-N
XLogP4.14
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-2-methylbenzenesulfonamide
CID 143906895
N-(5-amino-2-chlorophenyl)-3-methoxybenzenesulfonamide
CID 81260297
3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 122194678
3,4,5-trichloro-N-[2-[(3-methoxyphenyl)sulfonylamino]phenyl]benzamide
CID 171347765
3-chloro-N-(2-chloro-5-methoxyphenyl)benzenesulfonamide
CID 47419004
N-(2-chloro-4-methoxyphenyl)-3-methylbenzenesulfonamide
CID 110777955
N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 78995720
3-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 45369226
N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 156749782
4-[(3-methoxyphenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82877622
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
N-(5-chloroquinoxalin-2-yl)-3-methoxybenzenesulfonamide
CID 167937890

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-3-methoxybenzenesulfonamide?
The IUPAC name of N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-3-methoxybenzenesulfonamide (CID 143906940) is N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-3-methoxybenzenesulfonamide?
The canonical SMILES for N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-3-methoxybenzenesulfonamide is C=Cc1c(NS(=O)(=O)c2cccc(OC)c2)cc(Cl)c(O)c1C=C.
What is the InChIKey of N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-3-methoxybenzenesulfonamide?
The InChIKey is IOLWKOBZFOERTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4S/c1-4-13-14(5-2)17(20)15(18)10-16(13)19-24(21,22)12-8-6-7-11(9-12)23-3/h4-10,19-20H,1-2H2,3H3.
What are the key properties of N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-3-methoxybenzenesulfonamide?
N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-3-methoxybenzenesulfonamide has a molecular weight of 365.84 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-3-methoxybenzenesulfonamide is sourced from PubChem (CID 143906940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).