N-(3-bromo-2-cyanophenyl)-5-chloro-2-methoxybenzenesulfonamide

C14H10BrClN2O3S — CID 172538343

IUPACN-(3-bromo-2-cyanophenyl)-5-chloro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(Br)c1C#N
InChIInChI=1S/C14H10BrClN2O3S/c1-21-13-6-5-9(16)7-14(13)22(19,20)18-12-4-2-3-11(15)10(12)8-17/h2-7,18H,1H3
InChIKeyBHJLQPZLWLZUQQ-UHFFFAOYSA-N
MW401.67 g/mol
LogP3.78
Rot. Bonds4

About N-(3-bromo-2-cyanophenyl)-5-chloro-2-methoxybenzenesulfonamide

N-(3-bromo-2-cyanophenyl)-5-chloro-2-methoxybenzenesulfonamide (PubChem CID 172538343) has the molecular formula C14H10BrClN2O3S and a molecular weight of 401.67 g/mol. Its IUPAC name is N-(3-bromo-2-cyanophenyl)-5-chloro-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-2-cyanophenyl)-5-chloro-2-methoxybenzenesulfonamide
PubChem CID172538343
Molecular FormulaC14H10BrClN2O3S
Molecular Weight401.67 g/mol
Exact Mass399.93
IUPAC NameN-(3-bromo-2-cyanophenyl)-5-chloro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(Br)c1C#N
InChIInChI=1S/C14H10BrClN2O3S/c1-21-13-6-5-9(16)7-14(13)22(19,20)18-12-4-2-3-11(15)10(12)8-17/h2-7,18H,1H3
InChIKeyBHJLQPZLWLZUQQ-UHFFFAOYSA-N
XLogP3.78
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.67
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 4664874
5-chloro-2-methoxy-N-quinolin-8-ylbenzenesulfonamide
CID 76506690
5-bromo-N-(4-chloro-2-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 155555207
3-bromo-2-chloro-N-(2-cyano-3-methylphenyl)benzenesulfonamide
CID 100616708
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-5-chloro-2-methoxybenzenesulfonamide
CID 84563791
5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide
CID 39845488
N-(5-chloro-2-methoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822417
5-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzenesulfonamide
CID 25039217
2-chloro-N-(5-chloro-2-methoxyphenyl)benzenesulfonamide
CID 4816687
CID 70601990
CID 70601990
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-cyanophenyl)-5-chloro-2-methoxybenzenesulfonamide?
The IUPAC name of N-(3-bromo-2-cyanophenyl)-5-chloro-2-methoxybenzenesulfonamide (CID 172538343) is N-(3-bromo-2-cyanophenyl)-5-chloro-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3-bromo-2-cyanophenyl)-5-chloro-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(3-bromo-2-cyanophenyl)-5-chloro-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(Br)c1C#N.
What is the InChIKey of N-(3-bromo-2-cyanophenyl)-5-chloro-2-methoxybenzenesulfonamide?
The InChIKey is BHJLQPZLWLZUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O3S/c1-21-13-6-5-9(16)7-14(13)22(19,20)18-12-4-2-3-11(15)10(12)8-17/h2-7,18H,1H3.
What are the key properties of N-(3-bromo-2-cyanophenyl)-5-chloro-2-methoxybenzenesulfonamide?
N-(3-bromo-2-cyanophenyl)-5-chloro-2-methoxybenzenesulfonamide has a molecular weight of 401.67 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-cyanophenyl)-5-chloro-2-methoxybenzenesulfonamide is sourced from PubChem (CID 172538343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).