N-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide

C14H14FNO4S — CID 768854

IUPACN-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C14H14FNO4S/c1-19-12-6-7-13(20-2)14(9-12)21(17,18)16-11-5-3-4-10(15)8-11/h3-9,16H,1-2H3
InChIKeyZRROZGHOLZPTON-UHFFFAOYSA-N
MW311.33 g/mol
LogP2.64
Rot. Bonds5

About N-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide

N-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 768854) has the molecular formula C14H14FNO4S and a molecular weight of 311.33 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide
PubChem CID768854
Molecular FormulaC14H14FNO4S
Molecular Weight311.33 g/mol
Exact Mass311.06
IUPAC NameN-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C14H14FNO4S/c1-19-12-6-7-13(20-2)14(9-12)21(17,18)16-11-5-3-4-10(15)8-11/h3-9,16H,1-2H3
InChIKeyZRROZGHOLZPTON-UHFFFAOYSA-N
XLogP2.64
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Batabulin
CID 216324
4-Amino-2,5-dimethoxy-N-phenylbenzenesulfonamide
CID 104143
4-amino-N-(2-methoxyphenyl)benzene-1-sulfonamide
CID 579335
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-(4-Methoxyphenyl)benzenesulfonamide
CID 345790
4-amino-N-(4-methoxyphenyl)benzene-1-sulfonamide
CID 578975
3-Amino-N-(4-methoxyphenyl)benzenesulfonamide
CID 2756466
[3-[[4-(Trifluoromethoxy)phenyl]sulfonylamino]phenyl]boronic acid
CID 52939994
N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide
CID 341400
3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 740560
2,3,4-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 3868683
N-(4-Fluorophenyl)-2,5-dimethoxybenzene-1-sulfonamide
CID 4081068

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide (CID 768854) is N-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of N-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is ZRROZGHOLZPTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO4S/c1-19-12-6-7-13(20-2)14(9-12)21(17,18)16-11-5-3-4-10(15)8-11/h3-9,16H,1-2H3.
What are the key properties of N-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide?
N-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 311.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 768854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).